1-苯甲基-3-(二甲胺)吡咯烷,69478-77-9，生产厂家，价格-洛克化工网移动版

1-苯甲基-3-(二甲胺)吡咯烷

中文名称：: 1-苯甲基-3-(二甲胺)吡咯烷

中文别名：: 1-苄基-3-(二甲氨基)吡咯烷;
1-苯甲基-3-(二甲胺)吡咯烷

英文名称：: 3-Pyrrolidinamine,N,N-dimethyl-1-(phenylmethyl)-

英文别名：: 1-Benzyl-3-(dimethylamino)pyrrolidine;
1-benzyl-N,N-dimethylpyrrolidin-3-amine

CAS No.：: 69478-77-9

分子式：: C₁₃H₂₀N₂

分子量：: 204.31

精确分子量：: 204.16300

PSA：: 6.48000

InChI：: The Key: SOTUMZCQANFRAM-ZDUSSCGKSA-N3

风险术语：: 25

分子结构式：

SDS：: 查看

1-苯甲基-3-(二甲胺)吡咯烷物化性质

密度：: 0.97
沸点：: 117 °C / 2.3mmHg
闪点：: 113.713ºC
折射率：: 1.562
存储条件/存储方法：: 存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂，远离热和光。
稳定性相关：: 远离氧化物，光和热。
其它信息：: 1.       性状：液体。

2.       密度（g/mL,25/4℃）：0.97

3.       相对蒸汽密度（g/mL,空气=1）：未确定

4.       熔点（ºC）：未确定

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。

1-苯甲基-3-(二甲胺)吡咯烷安全信息

海关代码：: 2933990090
RTECS号：: CZ4325000

1-苯甲基-3-(二甲胺)吡咯烷 MSDS

1-Benzyl-3-(dimethylamino)pyrrolidine Revision number: 1
SAFETY DATA SHEET

Section 1. BASE INFORMATION
Product name: 1-Benzyl-3-(dimethylamino)pyrrolidine

Revision number: 1

Section 2. HAZARDS IDENTIFICATION
  Classification of the GHS
  PHYSICAL HAZARDS        Not classified
  HEALTH HAZARDS
    Category 1C
  Skin corrosion/irritation
  Serious eye damage/eye irritation        Category 1
    Not classified
  ENVIRONMENTAL HAZARDS
  GHS label elements
  Pictograms or hazard symbols
  Signal word        Danger
  Hazard statement        Causes severe skin burns and eye damage
  Precautionary statements
  [Prevention]        Do not breathe.
    Wash hands thoroughly after handling.
    Wear protective gloves/eye protection/face protection.
  [Response]        IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for
    breathing.
    IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
    IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses,
    if present and easy to do. Continue rinsing.
    IF ON SKIN (or hair): Remove/Take off immediately all contaminated clothing. Rinse
    skin with water/shower.
    Wash contaminated clothing before reuse.
    Immediately call a POISON CENTER or doctor/physician.
    Store locked up.
  [Storage]
  [Disposal]        Dispose of contents/container through a waste management company authorized by
    the local government

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
  Substance/mixture:        Substance
  Component(s):        1-Benzyl-3-(dimethylamino)pyrrolidine
    >96.0%(GC)
  Percent:
  CAS Number:        69478-77-9
  Chemical Formula:        C13H20N2
  1-Benzyl-3-(dimethylamino)pyrrolidine

Section 4. FIRST AID MEASURES
  Inhalation:        Remove victim to fresh air and keep at rest in a position comfortable for breathing.
    Immediately call a POISON CENTER or doctor/physician.
  Skin contact:        Remove/Take off immediately all contaminated clothing. Gently wash with plenty of
    soap and water. Immediately call a POISON CENTER or doctor/physician.
  Eye contact:        Rinse cautiously with water for several minutes. Remove contact lenses, if present
    and easy to do. Continue rinsing.Immediately call a POISON CENTER or
    doctor/physician.
  Ingestion:        Immediately call a POISON CENTER or doctor/physician. Rinse mouth. Do NOT
    induce vomiting.
  Protection of first-aiders:        A rescuer should wear personal protective equipment, such as rubber gloves and air-
    tight goggles.

Section 5. FIRE-FIGHTING MEASURES
  Suitable extinguishing        Dry chemical, foam, carbon dioxide.
  media:
  Extinguishing media not to Water (It may scatter and spread fire.)
  be used:
  Specific hazards:        Take care as it may decompose upon combustion or in high temperatures to
    generate poisonous fume.
  Specific methods:        Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
    method according to the surrounding situation is used. Uninvolved persons should
    evacuate to a safe place. In case of fire in the surroundings: Remove movable
    containers if safe to do so.
    When extinguishing fire, be sure to wear personal protective equipment.
  Special protective
  equipment for firefighters:

Section 6. ACCIDENTAL RELEASE MEASURES
    Use extra personal protective equipment (self-contained breathing apparatus). Keep
  Personal precautions,
  protective equipment and people away from and upwind of spill/leak. Ensure adequate ventilation. Entry to non-
  emergency procedures: involved personnel should be controlled around the leakage area by roping off, etc.
  Environmental precautions: Prevent product from entering drains.
  Methods and materials for Absorb spilled material in a suitable absorbent (e.g. rag, dry sand, earth, saw-dust).
  containment and cleaning In case of large amount of spillage, contain a spill by bunding. Adhered or collected
  up: material should be promptly disposed of, in accordance with appropriate laws and
    regulations.

Section 7. HANDLING AND STORAGE
  Handling
  Technical measures:        Handling is performed in a well ventilated place. Wear suitable protective equipment.
    Prevent generation of vapor or mist. Wash hands and face thoroughly after handling.
    Use a closed system if possible. Use a ventilation, local exhaust if vapor or aerosol
    will be generated.
  Advice on safe handling:        Avoid contact with skin, eyes and clothing.
  Storage
  Storage conditions:        Keep container tightly closed. Store in a cool and dark place.
    Store locked up.
    Store away from incompatible materials such as oxidizing agents.
  Packaging material:        Law is followed.

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
    Install a closed system or local exhaust. Also install safety shower and eye bath.
  Engineering controls:
  Personal protective equipment
  Respiratory protection:        Half or full facepiece respirator, self-contained breathing apparatus(SCBA), supplied
    air respirator, etc. Use respirators approved under appropriate government standards
    and follow local and national regulations.
  Hand protection:        Impervious gloves.
  1-Benzyl-3-(dimethylamino)pyrrolidine

Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Eye protection: Safety goggles. A face-shield, if the situation requires.
Skin and body protection: Impervious protective clothing. Protective boots, if the situation requires.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
  Physical state (20°C):        Liquid
  Form:        clear
    Very pale yellow - Yellow
  Color:
  Odor:        No data available
  pH: No data available
  Melting point/freezing point:No data available
  Boiling Point/Range:        117 °C/0.3kPa
  Flash Point:        No data available
  Explosive limits
  Lower:        No data available
    No data available
  Upper:
  Density:        0.97
  Solubility:        No data available

Section 10. STABILITY AND REACTIVITY
  Stability:        Stable under proper conditions.
  Reactivity:        No special reactivity has been reported.
  Incompartible materials: oxidizing agents
  Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
  Products:

Section 11. TOXICOLOGICAL INFORMATION
  Acute Toxicity:        No data available
  Skin corrosion/irritation: No data available
  Serious eye        No data available
  damage/irritation:
  Germ cell mutagenicity: No data available
  Carcinogenicity:
  IARC =        No data available
    No data available
  NTP =
  Reproductive toxicity:        No data available

Section 12. ECOLOGICAL INFORMATION
  Ecotoxicity:
  Fish:        No data available
  Crustacea:        No data available
  Algae:        No data available
  Persistence / degradability: No data available
    No data available
  Bioaccumulative
  potential(BCF):
  Mobillity in soil
  log Pow:        No data available
  Soil adsorption (Koc):        No data available
  Henry's Law        No data available
  constant(PaM3/mol):

Section 13. DISPOSAL CONSIDERATIONS
    Recycle to process, if possible. Consult your local regional authorities. You may be able to burn in a chemical
    incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when
    disposing of the substance.
  1-Benzyl-3-(dimethylamino)pyrrolidine

Section 14. TRANSPORT INFORMATION
  Hazards Class:        8: Corrosive.
  UN-No:        2735
  Proper shipping name:        Polyamines, liquid, corrosive, n.o.s.
  Packing group:        III

Section 15. REGULATORY INFORMATION
  Safe management ordinance of dangerous chemical product (State Council announces on January 26,
  2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
    prescribed.

SECTION 16 - ADDITIONAL INFORMATION
N/A

1-苯甲基-3-(二甲胺)吡咯烷海关数据

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%

1-苯甲基-3-(二甲胺)吡咯烷分子结构与计算化学数据

分子结构数据

1、摩尔折射率：64.86

2、摩尔体积（m³/mol）：200.0

3、等张比容（90.2K）：505.2

4、表面张力（dyne/cm）：40.6

5、极化率（10^-24cm³）：25.71

计算化学数据

1.疏水参数计算参考值（XlogP）:2

2.氢键供体数量:0

3.氢键受体数量:2

4.可旋转化学键数量:3

5.互变异构体数量:无

6.拓扑分子极性表面积6.5

7.重原子数量:15

8.表面电荷:0

9.复杂度:185

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

1-苯甲基-3-(二甲胺)吡咯烷上游产品

(S)-1-苄基-3-吡咯烷醇; (S)-(+)-N-苄基-3-羟基吡咯烷; (S)-3-羟基-1-苄基吡咯烷 (S)-N-苄基吡咯-3-甲醇对甲苯磺酸酯 (R)-N-苄基吡咯-3-甲醇对甲苯磺酸酯二甲胺