乐杀螨,485-31-4，生产厂家，价格-洛克化工网移动版

乐杀螨

中文名称：: 乐杀螨

中文别名：: 乐杀螨;
2-仲丁基-4，6-二硝基苯基-3-甲基丁烯酸酯;
2-仲丁基-4,6-二硝基苯基-3-甲基-丁烯2-酸酯;
2-仲丁基-4,6-二硝基苯基-3,3-二甲基丙烯酸酯

英文名称：: 2-Butenoic acid,3-methyl-, 2-(1-methylpropyl)-4,6-dinitrophenyl ester

英文别名：: binapacryl;
rac-2-[(2R)-butan-2-yl]-4,6-dinitrophenyl 3-methylbut-2-enoate;
(RS)-2-sec-butyl-4,6-dinitrophenyl 3-methylcrotonate;
Ambox;
2-(1-methylpropyl)-4,6-dinitrophenyl 3-methyl-2-butenoate;
(2-butan-2-yl-4,6-dinitrophenyl) 3-methylbut-2-enoate;
Acricid;
BINAPACRYL;
2,4-dinitro-6-sec-butylphenyldimethyl-acrylate;
Dinapacryl;
Caswell No. 086;
4,6-dinitro-2-sec.-butylphenyl 3,3-dimethylacrylate;
2-sec-butyl-4,6-dinitrophenyl-3,3-dimethylacrylate;
Dapacryl;
Endosan;
Dinoseb methacrylate;
Morrocid;
Morocide

CAS No.：: 485-31-4

分子式：: C₁₅H₁₈N₂O₆

分子量：: 322.31

精确分子量：: 322.11600

PSA：: 117.94000

MDL：: MFCD00055425

EINECS：: 207-612-9

BRN：: 2013712

InChI：: The Key: ZRDUSMYWDRPZRM-UHFFFAOYSA-N3

危险品标志：: N

风险术语：: R61 R21/22 R50/53

安全术语：: S45 S53 S60 S61

分子结构式：

SDS：: 查看

乐杀螨制备方法及用途

制备方法

2-仲丁基-4,6-二硝基酚与β,β二甲基丙烯酰氯在氮气保护下,于135℃搅拌反应5h,减压蒸馏除去过量的酰氯,剩余物用石油醚洗涤,经苯-己烷重结晶,得原药乐杀螨。原料消耗定额:2-仲丁基-4,6-二硝基酚750kg/t、β,β二甲基丙烯酰氯1120kg/t。

合成制备方法

2-仲丁基-4,6-二硝基酚与β,β二甲基丙烯酰氯在氮气保护下，于135℃搅拌反应5h，减压蒸馏除去过量的酰氯，剩余物用石油醚洗涤，经苯-己烷重结晶，得原药乐杀螨。原料消耗定额：2-仲丁基-4,6-二硝基酚750kg/t、β,β二甲基丙烯酰氯1120kg/t。

用途简介

非内吸性杀螨剂、杀菌剂。农药分析标准。

用途

非内吸性杀螨剂、杀菌剂。农药分析标准。

乐杀螨物化性质

密度：: 1.238g/cm3
熔点：: 68-69ºC
沸点：: 436.7ºC at 760mmHg
闪点：: 171.7ºC
折射率：: 1.553
蒸汽压：: 7.9E-08mmHg at 25°C
存储条件/存储方法：: 库房通风低温干燥,与食品原料分开储运
稳定性相关：: 按规格使用和贮存，不会发生分解，避免与氧化物接触
其它信息：: 1.    性状：白色结晶。带有轻微芳香气味。在浓酸和稀碱中不稳定，长期与水接触会引起轻微水解，紫外线能使其缓慢分解。

2.    密度（g/mL,25/4℃）：1.2307

3.    相对蒸汽密度（g/mL,空气=1）：未确定

4.    熔点（ºC）：68～69

5.    沸点（ºC,常压）：未确定

6.    沸点（ºC,5.2kPa）：未确定

7.    折射率：未确定

8.    闪点（ºC）：未确定

9.    比旋光度（º）：未确定

10.自燃点或引燃温度（ºC）：未确定

11.蒸气压（kPa,25ºC）：未确定

12.饱和蒸气压（kPa,60ºC）：未确定

13.燃烧热（KJ/mol）：未确定

14.临界温度（ºC）：未确定

15.临界压力（KPa）：未确定

16.油水（辛醇/水）分配系数的对数值：未确定

17.爆炸上限（%,V/V）：未确定

18.爆炸下限（%,V/V）：未确定

19.溶解性：溶于大多数有机溶剂，几乎不溶于水。

乐杀螨安全信息

包装等级：: III
风险类别：: 6.1(b)
WGK_Germany：: 3
德国有关水污染物质的分类清单
危险类别码：: 61-21/22-50/53
安全说明：: 53-45-60-61
RTECS号：: GQ5600000
安全标志：: S45:出现意外或者感到不适，立刻到医生那里寻求帮助（最好带去产品容器标签）。
S53:避免暴露——使用前先阅读专门的说明。
S60:本物质残余物和容器必须作为危险废物处理。
S61:避免排放到环境中。参考专门的说明/安全数据表。
危险标志：: T: Toxic;N: Dangerous for the environment;

乐杀螨毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GQ5600000

CHEMICAL NAME :: Crotonic acid, 3-methyl-, 2-sec-butyl-4,6-dinitrophenyl ester

CAS REGISTRY NUMBER :: 485-31-4

LAST UPDATED :: 199612

DATA ITEMS CITED :: 9

MOLECULAR FORMULA :: C15-H18-N2-O6

MOLECULAR WEIGHT :: 322.35

WISWESSER LINE NOTATION :: 2Y1&R CNW ENW BOV1UY1&1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 58 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 720 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 1600 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 750 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 50 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: 750 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 200 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - chicken

DOSE/DURATION :: >800 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :: Mutation in microorganisms

TEST SYSTEM :: Bacteria - Salmonella typhimurium

DOSE/DURATION :: 5 mg/plate

REFERENCE :: MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 116,185,1983

毒理学数据：

1、急性毒性：大鼠经口LD50：58mg/kg，除致死剂量外无详细说明；

大鼠经皮肤LD50：720mg/kg，除致死剂量外无详细说明；

小鼠经口LD50：1600mg/kg，行为-嗜睡（普通抑郁活动）或惊厥或癫痫，呼吸刺激；

小鼠经皮肤LD50：750mg/kg，除致死剂量外无详细说明；

狗经口LD50：50mg/kg，除致死剂量外无详细说明；

兔子经皮肤LD50：750mg/kg，除致死剂量外无详细说明；

豚鼠经口LD50：200mg/kg，行为-嗜睡（普通抑郁活动）或惊厥或癫痫，呼吸刺激；

鸡经口LD50：>800mg/kg，除致死剂量外无详细说明；

2、致突变数据：微生物机体TEST系统突变：细菌-鼠伤寒沙门氏杆菌：5mg/plate；

生态数据：

该物质对环境可能有危害，对水体应给予特别注意。

乐杀螨 MSDS

Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : Binapacryl
    Index-No.        : 609-024-00-1
    CAS-No.        : 485-31-4
  Relevant identified uses of the substance or mixture and uses advised against
    Identified uses        : Laboratory chemicals, Manufacture of substances

Section 2. HAZARDS IDENTIFICATION
  Classification of the substance or mixture
  Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
    Reproductive toxicity (Category 1B)
    Acute toxicity (Category 4)
    Acute toxicity (Category 4)
    Acute aquatic toxicity (Category 1)
    Chronic aquatic toxicity (Category 1)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    May cause harm to the unborn child. Harmful in contact with skin and if swallowed. Very toxic to aquatic
    organisms, may cause long-term adverse effects in the aquatic environment.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Danger
    Hazard statement(s)
    H302        Harmful if swallowed.
    H312        Harmful in contact with skin.
    H410        Very toxic to aquatic life with long lasting effects.
    H360D        May damage the unborn child.
    Precautionary statement(s)
    P201        Obtain special instructions before use.
    P273        Avoid release to the environment.
    P280        Wear protective gloves/ protective clothing.
    P308 + P313        IF exposed or concerned: Get medical advice/ attention.
    P501        Dispose of contents/ container to an approved waste disposal plant.
    Supplemental Hazard        none
    Statements
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R61        May cause harm to the unborn child.
    R21/22        Also harmful in contact with skin and if swallowed.
    R50/53        Very toxic to aquatic organisms, may cause long-term adverse effects in
    the aquatic environment.
    S-phrase(s)
    S53        Avoid exposure - obtain special instructions before use.
    S45        In case of accident or if you feel unwell, seek medical advice immediately
    (show the label where possible).
    S60        This material and its container must be disposed of as hazardous waste.
    S61        Avoid release to the environment. Refer to special instructions/ Safety
    data sheets.
    Restricted to professional users.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Formula        : C15H18N2O6
    Molecular Weight        : 322,31 g/mol
    Component        Concentration
  Binapacryl
    CAS-No.        485-31-4        -
    EC-No.        207-612-9
    Index-No.        609-024-00-1

Section 4. FIRST AID MEASURES
  Description of first aid measures
  General advice
    Consult a physician. Show this safety data sheet to the doctor in attendance.
  If inhaled
    If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
  In case of skin contact
    Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician.
  In case of eye contact
    Flush eyes with water as a precaution.
  If swallowed
    Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
  Most important symptoms and effects, both acute and delayed
  Indication of any immediate medical attention and special treatment needed
    no data available

Section 5. FIREFIGHTING MEASURES
  Extinguishing media
  Suitable extinguishing media
    Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
  Special hazards arising from the substance or mixture
    Carbon oxides, nitrogen oxides (NOx)
  Advice for firefighters
    Wear self contained breathing apparatus for fire fighting if necessary.
  Further information
    no data available

Section 6. ACCIDENTAL RELEASE MEASURES
  Personal precautions, protective equipment and emergency procedures
    Wear respiratory protection. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate
    ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
  Environmental precautions
    Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
    environment must be avoided.
  Methods and materials for containment and cleaning up
    Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
    containers for disposal.
  Reference to other sections
    For disposal see section 13.

Section 7. HANDLING AND STORAGE
  Precautions for safe handling
    Avoid contact with skin and eyes. Avoid formation of dust and aerosols.Avoid exposure - obtain special
    instructions before use.
    Provide appropriate exhaust ventilation at places where dust is formed.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
  Specific end use(s)
    no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling
    the product.
  Personal protective equipment
  Eye/face protection
    Face shield and safety glasses Use equipment for eye protection tested and approved under
    appropriate government standards such as NIOSH (US) or EN 166(EU).
  Skin protection
    Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
    (without touching glove's outer surface) to avoid skin contact with this product. Dispose of
    contaminated gloves after use in accordance with applicable laws and good laboratory practices.
    Wash and dry hands.
    The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
    the standard EN 374 derived from it.
  Body Protection
    Complete suit protecting against chemicals, The type of protective equipment must be selected
    according to the concentration and amount of the dangerous substance at the specific workplace.
  Respiratory protection
    Where risk assessment shows air-purifying respirators are appropriate use a full-face particle
    respirator type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering
    controls. If the respirator is the sole means of protection, use a full-face supplied air respirator. Use
    respirators and components tested and approved under appropriate government standards such
    as NIOSH (US) or CEN (EU).

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Information on basic physical and chemical properties
    a) Appearance        Form: solid
    b) Odour        no data available
    c) Odour Threshold        no data available
    d) pH        no data available
    e) Melting point/freezing        no data available
    point
    f) Initial boiling point and no data available
    boiling range
    g) Flash point        no data available
    h) Evaporation rate        no data available
    i) Flammability (solid, gas) no data available
    j) Upper/lower        no data available
    flammability or
    explosive limits
    k) Vapour pressure        no data available
    l) Vapour density        no data available
    m) Relative density        no data available
    n) Water solubility        no data available
    o) Partition coefficient: n- no data available
    octanol/water
    p) Auto-ignition        no data available
    temperature
    q) Decomposition        no data available
    temperature
    r) Viscosity        no data available
    s) Explosive properties        no data available
    t) Oxidizing properties        no data available
  Other safety information
    no data available

Section 10. STABILITY AND REACTIVITY
  Reactivity
    no data available
  Chemical stability
    no data available
  Possibility of hazardous reactions
    no data available
  Conditions to avoid
    no data available
  Incompatible materials
    Strong oxidizing agents
  Hazardous decomposition products
    Other decomposition products - no data available

Section 11. TOXICOLOGICAL INFORMATION
  Information on toxicological effects
  Acute toxicity
    LD50 Oral - rat - 58 mg/kg
    LD50 Dermal - rabbit - 750 mg/kg
  Skin corrosion/irritation
    no data available
  Serious eye damage/eye irritation
    no data available
  Respiratory or skin sensitization
    no data available
  Germ cell mutagenicity
    no data available
  Carcinogenicity
    IARC:        No component of this product present at levels greater than or equal to 0.1% is identified as
    probable, possible or confirmed human carcinogen by IARC.
  Reproductive toxicity
    May cause congenital malformation in the fetus.
    Presumed human reproductive toxicant
  Specific target organ toxicity - single exposure
    no data available
  Specific target organ toxicity - repeated exposure
    no data available
  Aspiration hazard
    no data available
  Potential health effects
  Inhalation        May be harmful if inhaled. May cause respiratory tract irritation.
  Ingestion        Toxic if swallowed.
  Skin
    Toxic if absorbed through skin. May cause skin irritation.
  Eyes        May cause eye irritation.
  Additional Information
    RTECS: GQ5600000

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    Toxicity to fish        mortality LOEC - Salmo salar (Atlantic salmon) - 0,06 mg/l - 96,0 h
    LC50 - Oncorhynchus mykiss (rainbow trout) - 0,05 mg/l - 96,0 h
  Persistence and degradability
    no data available
  Bioaccumulative potential
    no data available
  Mobility in soil
    no data available
  Results of PBT and vPvB assessment
    no data available
  Other adverse effects
    Very toxic to aquatic life.

Section 13. DISPOSAL CONSIDERATIONS
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Dissolve or mix the material
    with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
  Contaminated packaging
    Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
  UN number
    ADR/RID: 2811        IMDG: 2811        IATA: 2811
  UN proper shipping name
    ADR/RID: TOXIC SOLID, ORGANIC, N.O.S. (Binapacryl)
    IMDG: TOXIC SOLID, ORGANIC, N.O.S. (Binapacryl)
    IATA:        Toxic solid, organic, n.o.s. (Binapacryl)
  Transport hazard class(es)
    ADR/RID: 6.1        IMDG: 6.1        IATA: 6.1
  Packaging group
    ADR/RID: III        IMDG: III        IATA: III
  Environmental hazards
    ADR/RID: yes        IMDG Marine Pollutant: yes        IATA: no
  Special precautions for user
    no data available

Section 15. REGULATORY INFORMATION
    This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
  Safety, health and environmental regulations/legislation specific for the substance or mixture
    no data available
  Chemical Safety Assessment
    no data available

Section 16. OTHER INFORMATION
  Further information
    Copyright 2012 Co. LLC. License granted to make unlimited paper copies for internal use
    only.
    The above information is believed to be correct but does not purport to be all inclusive and shall be
    used only as a guide. The information in this document is based on the present state of our knowledge
    and is applicable to the product with regard to appropriate safety precautions. It does not represent any
    guarantee of the properties of the product. Corporation and its Affiliates shall not be held
    liable for any damage resulting from handling or from contact with the above product. See
     and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

乐杀螨分子结构与计算化学数据

分子结构数据

1、摩尔折射率：83.30

2、摩尔体积（m³/mol）：260.2

3、等张比容（90.2K）：677.3

4、表面张力（dyne/cm）：45.8

5、极化率（10^-24cm³）：33.02

计算化学数据

1.疏水参数计算参考值（XlogP）:无

2.氢键供体数量:0

3.氢键受体数量:6

4.可旋转化学键数量:5

5.互变异构体数量:无

6.拓扑分子极性表面积118

7.重原子数量:23

8.表面电荷:0

9.复杂度:489

10.同位素原子数量:0

11.确定原子立构中心数量:0

12.不确定原子立构中心数量:1

13.确定化学键立构中心数量:0

14.不确定化学键立构中心数量:0

15.共价键单元数量:1

乐杀螨表征图谱

乐杀螨质谱(MS)

乐杀螨

乐杀螨 制备方法及用途