2-甲基吡咯烷

2-甲基吡咯烷 基本信息
CAS号 765-38-8 分子式 C5H11N
分子量 85.14750 精确质量  85.08910
PSA  12.03000 LogP  1.08710

等价的CAS号:

765-38-8,41720-98-3,59335-84-1,79171-53-2

基本信息 展开↓

CAS号:
765-38-8
3D弹球模型:
立即前往扯扯看
分子式:
C5H11N
分子量:
85.14750
中文名称:
2-甲基吡咯烷
英文名称:
2-Methylpyrrolidine
中文别名:
2-甲基吡咯烷;
2-甲基四氢吡咯
英文别名:
2-Methylpyrrolidine;
2-METHYLPYRROLIDINE
精确分子量/精确质量:
85.08910
极性分子表面积/PSA:
12.03000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
贝尔斯坦号/MDL:
MFCD00014491
EINECS:
212-144-3
PubChem:
24871446
InChI:
InChI=1/C5H11N.ClH/c1-5-3-2-4-6-5;/h5-6H,2-4H2,1H3;1H

物化性质展开↓

外观与性状:
透明无色至淡黄色液体
密度:
0.834
沸点:
98-100ºC
闪点:
2ºC
水溶解性:
soluble
折射率:
1.435-1.437
存储条件/存储方法:

保持容器密封,放入紧密的出藏器内,储存在阴凉,干燥的地方     

稳定性相关:

常温常压下稳定,避免氧化物 酸接触

其它信息:

1.       性状:未确定

2.       密度(g/mL,25/4):0.834 g/mL 

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, 44 mm Hg):97-99 °C

7.       折射率:n20/D 1.437

8.       闪点(ºF):37 °

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:溶于水

安全信息展开↓

包装等级:
II
风险类别:
3
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:
R11;R34
安全说明:
S16-S26-S36/37/39-S45
安全标志:
S16:远离火源。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
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)。
:
危险标志:
F:Flammable;C:Corrosive;

合成路线查看所有的合成路线

  • 22537-07-1

    4-Penten-1-胺

  • ~90%

  • 765-38-8

    2-甲基吡咯烷

  • 122970-63-2

    2-Methylpyrroline

  • ~88%

  • 765-38-8

    2-甲基吡咯烷

  • 89656-27-9

    N-tert-butyl-1-(2-methylpyrrolidin-1-yl)methanimine

  • ~88%

  • 765-38-8

    2-甲基吡咯烷

毒理性展开↓

生态数据:

对水是稍微有害的,不要让未稀释或大量的产品接触地下水,水道或者污水系统,若无政府许可,勿将材料排入周围环境

MSDS 展开↓

Name: 2-Methylpyrrolidine Material Safety Data Sheet
Synonym: Secondary amine
CAS: 765-38-8
Section 1 - Chemical Product   MSDS Name:2-Methylpyrrolidine Material Safety Data Sheet
Synonym:Secondary amine

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
765-38-8 Pyrrolidine, 2-methyl- 98 212-144-3
Hazard Symbols: F C
Risk Phrases: 11 34

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Highly flammable. Causes burns.
Potential Health Effects
Eye:
Causes eye burns.
Skin:
Causes skin burns. May be absorbed through the skin in harmful amounts.
Ingestion:
Causes gastrointestinal tract burns.
Inhalation:
Causes chemical burns to the respiratory tract.
Chronic:
Chronic inhalation and ingestion may cause effects similar to those of acute inhalation and ingestion.

Section 4 - FIRST AID MEASURES
  Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid immediately.
Skin:
In case of contact, immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Get medical aid immediately. Wash clothing before reuse.
Ingestion:
If swallowed, do NOT induce vomiting. Get medical aid immediately.
If victim is fully conscious, give a cupful of water. Never give anything by mouth to an unconscious person.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Vapors can travel to a source of ignition and flash back. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Flammable liquid and vapor.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Remove all sources of ignition.
Provide ventilation. Use only non-sparking tools and equipment.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Ground and bond containers when transferring material. Do not get in eyes, on skin, or on clothing. Empty containers retain product residue, (liquid and/or vapor), and can be dangerous. Use only with adequate ventilation. Keep away from heat, sparks and flame. Do not breathe vapor or mist.
Storage:
Store in a cool, dry, well-ventilated area away from incompatible substances. Flammables-area. Isolate from oxidizing materials and acids.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use process enclosure, local exhaust ventilation, or other engineering controls to control airborne levels.
Exposure Limits CAS# 765-38-8: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Liquid
Color: clear colorless to light yellow
Odor: amine-like
pH: alkaline in aq soln
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 98-100 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: 2 deg C ( 35.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Soluble.
Specific Gravity/Density: 0.88
Molecular Formula: C5H11N
Molecular Weight: 85.15

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Ignition sources, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents, strong acids.
Hazardous Decomposition Products:
Carbon monoxide, oxides of nitrogen, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 765-38-8 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Pyrrolidine, 2-methyl- - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: AMINES, FLAMMABLE, CORROSIVE, N.O.S.*
Hazard Class: 3
UN Number: 2733
Packing Group: II
IMO
Shipping Name: AMINES, FLAMMABLE, CORROSIVE, N.O.S.
Hazard Class: 3
UN Number: 2733
Packing Group: II
RID/ADR
Shipping Name: AMINES, FLAMMABLE, CORROSIVE, N.O.S.
Hazard Class: 3
UN Number: 2733
Packing group: II

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: F C
Risk Phrases:
R 11 Highly flammable.
R 34 Causes burns.
Safety Phrases:
S 16 Keep away from sources of ignition - No
smoking.
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 765-38-8: No information available.
Canada
CAS# 765-38-8 is listed on Canada's NDSL List.
CAS# 765-38-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 765-38-8 is listed on the TSCA inventory.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

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展开↓

分子结构数据


1、   摩尔折射率:26.50

2、   摩尔体积m3/mol104.7

3、   等张比容90.2K232.3

4、   表面张力dyne/cm24.2

5、   介电常数:

6、   偶极距10-24cm3

7、   极化率:10.50

计算化学数据


1.疏水参数计算参考值(XlogP):0.7

2.氢键供体数量:1

3.氢键受体数量:1

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积12

7.重原子数量:6

8.表面电荷:0

9.复杂度:43.2

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

上下游相关产品

上游产品

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  • 89656-27-9

    N-tert-butyl-1-(2-methylpyrrolidin-1-yl)methanimine

  • 22537-07-1

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  • 144688-82-4

    N-tert-butoxycarbonyl-α-methylpyrrolidine

  • 122970-63-2

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    2-pent-4-enylisoindole-1,3-dione

下游产品

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  • 872-32-2

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  • 636-41-9

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  • 108-27-0

    5-甲基-2-吡咯酮

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