3-Pyrrolidinamine,N,N-dimethyl-1-(phenylmethyl)-
- 中文别名:1-苯甲基-3-(二甲胺)吡咯烷
- 中文释义:1-苄基-3-(二甲氨基)吡咯烷;1-苯甲基-3-(二甲胺)吡咯烷
- 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-N
- 分子结构式:
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。
安全信息
- 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。
MSDS
1-Benzyl-3-(dimethylamino)pyrrolidineRevision number: 1
SAFETY DATA SHEET
Section1. BASE INFORMATION
Product name:1-Benzyl-3-(dimethylamino)pyrrolidine
Revision number:1
Section2. HAZARDS IDENTIFICATION
Classification of the GHS
PHYSICAL HAZARDSNot classified
HEALTH HAZARDS
Category 1C
Skin corrosion/irritation
Serious eye damage/eye irritationCategory 1
Not classified
ENVIRONMENTAL HAZARDS
GHS label elements
Pictograms or hazard symbols
Signal wordDanger
Hazard statementCauses 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
Section3. 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
Section4. 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.
Section5. FIRE-FIGHTING MEASURES
Suitable extinguishingDry 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:
Section6. 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.
Section7. 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.
Section8. 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
Section8. 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.
Section9. 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
Section10. 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:
Section11. TOXICOLOGICAL INFORMATION
Acute Toxicity:No data available
Skin corrosion/irritation: No data available
Serious eyeNo data available
damage/irritation:
Germ cell mutagenicity: No data available
Carcinogenicity:
IARC =No data available
No data available
NTP =
Reproductive toxicity:No data available
Section12. 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 LawNo data available
constant(PaM3/mol):
Section13. 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
Section14. TRANSPORT INFORMATION
Hazards Class:8: Corrosive.
UN-No:2735
Proper shipping name:Polyamines, liquid, corrosive, n.o.s.
Packing group:III
Section15. 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
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%
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