克利溴铵; 可立啶; (1-甲基-1-氮杂双环[2.2.2]辛-8-基) 2-羟基-2,2-二苯基乙酸酯溴化物,3485-62-9，生产厂家，价格-洛克化工网移动版

克利溴铵; 可立啶; (1-甲基-1-氮杂双环[2.2.2]辛-8-基) 2-羟基-2,2-二苯基乙酸酯溴化物

中文名称：: 克利溴铵; 可立啶; (1-甲基-1-氮杂双环[2.2.2]辛-8-基) 2-羟基-2,2-二苯基乙酸酯溴化物

中文别名：: 克利溴铵;
溴奎环二苯酯;
(1-甲基-1-氮杂双环[2.2.2]辛-8-基) 2-羟基-2,2-二苯基乙酸酯溴化物;
克利溴胺;
可立啶

英文名称：: 1-Azoniabicyclo[2.2.2]octane,3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1-methyl-, bromide (1:1)

英文别名：: 1-Azoniabicyclo[2.2.2]octane, 3-[(2-hydroxy-2,2-diphenylacetyl)oxy]-1-methyl-, bromide (1:1);
1-Azoniabicyclo[2.2.2]octane, 3-[(hydroxydiphenylacetyl)oxy]-1-methyl-, bromide (9CI);
3-Hydroxy-1-methylquinuclidinium bromide, benzilate (6CI,7CI);
Quinuclidinium, 3-hydroxy-1-methyl-, bromide, benzilate (8CI);
1-Methyl-3-(benziloyloxy)quinuclidinium bromide;
3-(Benziloyloxy)-1-methylquinuclidinium bromide;
Clidinium bromide;
Quarzan;
Quarzan bromide;
Ro 2-3773

CAS No.：: 3485-62-9

分子式：: C₂₂H₂₆NO₃.Br

分子量：: 432.35

精确分子量：: 431.10961

PSA：: 46.53000

MDL：: MFCD00078996

EINECS：: 222-471-3

InChI：: InChI=1/C22H26NO3.BrH/c1-23-14-12-17(13-15-23)20(16-23)26-21(24)22(25,18-8-4-2-5-9-18)19-10-6-3-7-113

风险术语：: R22

安全术语：: S36

分子结构式：

SDS：: 查看

克利溴铵; 可立啶; (1-甲基-1-氮杂双环[2.2.2]辛-8-基) 2-羟基-2,2-二苯基乙酸酯溴化物物化性质

外观与性状：: 白色结晶固体
熔点：: 240-241°C
存储条件/存储方法：: 常温，避光，通风干燥处，密封保存
稳定性相关：: 常温常压下稳定，熔点（℃）：240-241°C
其它信息：: 1.       性状：未确定

2.       密度（g/mL,25/4℃）：未确定

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：240-241

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：未确定

克利溴铵; 可立啶; (1-甲基-1-氮杂双环[2.2.2]辛-8-基) 2-羟基-2,2-二苯基乙酸酯溴化物安全信息

包装等级：: III
风险类别：: 6.1(b)
海关代码：: 2933990090
WGK_Germany：: 3
德国有关水污染物质的分类清单
危险类别码：: R22
安全说明：: S36
RTECS号：: VD6125000
安全标志：: S36:穿戴合适的防护服装。
危险标志：: Xn

克利溴铵; 可立啶; (1-甲基-1-氮杂双环[2.2.2]辛-8-基) 2-羟基-2,2-二苯基乙酸酯溴化物毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :: VD6125000

CHEMICAL NAME :: Quinuclidinium, 3-hydroxy-1-methyl-, bromide, benzilate

CAS REGISTRY NUMBER :: 3485-62-9

LAST UPDATED :: 199009

DATA ITEMS CITED :: 5

MOLECULAR FORMULA :: C22-H26-N-O3.Br

MOLECULAR WEIGHT :: 432.40

WISWESSER LINE NOTATION :: T66 A B CKTJ AOVXQR&R& C &E &10/27

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

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

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 492 mg/kg

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

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 104,284,1952

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

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 54 mg/kg

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

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 104,284,1952

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

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 500 mg/kg

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

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 104,284,1952

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 16 mg/kg

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

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 104,284,1952

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

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Mammal - dog

DOSE/DURATION :: 26 mg/kg

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

REFERENCE :: JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 104,291,1952

毒理学数据：

急性毒性：

小鼠口经LD50： 492 mg/kg

小鼠腹腔LD50： 54 mg/kg

小鼠皮下LD50： 500 mg/kg

小鼠静脉LD50： 16 mg/kg

狗静脉LD50： 26 mg/kg

生态数据：

通常对水是不危害的，若无政府许可，勿将材料排入周围环境

克利溴铵; 可立啶; (1-甲基-1-氮杂双环[2.2.2]辛-8-基) 2-羟基-2,2-二苯基乙酸酯溴化物 MSDS

Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
  Product identifiers
    Product name        : Clidinium bromide
    CAS-No.        : 3485-62-9
  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]
    Acute toxicity, Oral (Category 4)
  Classification according to EU Directives 67/548/EEC or 1999/45/EC
    Harmful if swallowed.
  Label elements
  Labelling according Regulation (EC) No 1272/2008 [CLP]
    Pictogram
    Signal word        Warning
    Hazard statement(s)
    H302        Harmful if swallowed.
    Precautionary statement(s) none
    Supplemental Hazard        none
    Statements
    Safety data sheet available on request.
  According to European Directive 67/548/EEC as amended.
    Hazard symbol(s)
    R-phrase(s)
    R22        Harmful if swallowed.
    S-phrase(s)
    S36        Wear suitable protective clothing.
  Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substances
    Synonyms        : 3-Hydroxy-1-methylquinuclidinium bromide benzilate
    Formula        : C22H26BrNO3
    Molecular Weight        : 432,35 g/mol
    Component        Concentration
  Clidinium bromide
    CAS-No.        3485-62-9        -
    EC-No.        222-471-3

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. 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
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
  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), Hydrogen bromide gas
  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
    Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
    adequate ventilation. Avoid breathing dust.
  Environmental precautions
    Do not let product enter drains.
  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.
    Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
    protection.
  Conditions for safe storage, including any incompatibilities
    Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
  Specific end uses
    no data available

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
  Control parameters
  Components with workplace control parameters
  Exposure controls
  Appropriate engineering controls
    Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
    at the end of workday.
  Personal protective equipment
  Eye/face protection
    Safety glasses with side-shields conforming to EN166 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
    For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
    level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
    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) Autoignition        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
    no data available
  Hazardous decomposition products
    Other decomposition products - no data available

Section 11. TOXICOLOGICAL INFORMATION
  Information on toxicological effects
  Acute toxicity
    LD50 Oral - mouse - 492 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
    no data available
  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        Harmful if swallowed.
  Skin        May be harmful if absorbed through skin. May cause skin irritation.
  Eyes        May cause eye irritation.
  Signs and Symptoms of Exposure
    To the best of our knowledge, the chemical, physical, and toxicological properties have not been
    thoroughly investigated.
  Additional Information
    RTECS: VD6125000

Section 12. ECOLOGICAL INFORMATION
  Toxicity
    no data available
  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
    no data available

Section 13. DISPOSAL CONSIDERATIONS
  Waste treatment methods
  Product
    Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
    professional waste disposal service to dispose of this material. 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: -        IMDG: -        IATA: -
  UN proper shipping name
    ADR/RID: Not dangerous goods
    IMDG: Not dangerous goods
    IATA:        Not dangerous goods
  Transport hazard class(es)
    ADR/RID: -        IMDG: -        IATA: -
  Packaging group
    ADR/RID: -        IMDG: -        IATA: -
  Environmental hazards
    ADR/RID: no        IMDG Marine pollutant: no        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.

克利溴铵; 可立啶; (1-甲基-1-氮杂双环[2.2.2]辛-8-基) 2-羟基-2,2-二苯基乙酸酯溴化物海关数据

中国海关编码：2933990090

概述：: 2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素：: 品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
摘要/Summary：: 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

克利溴铵; 可立啶; (1-甲基-1-氮杂双环[2.2.2]辛-8-基) 2-羟基-2,2-二苯基乙酸酯溴化物分子结构与计算化学数据

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:1

3.氢键受体数量:4

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46.5

7.重原子数量:27

8.表面电荷:0

9.复杂度:482

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:2

克利溴铵; 可立啶; (1-甲基-1-氮杂双环[2.2.2]辛-8-基) 2-羟基-2,2-二苯基乙酸酯溴化物上游产品

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