1-(3-氨丙基)-2-吡咯烷酮

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 海关数据
  • 结构与计算化学
  • 上游产品
  • 下游产品
  • 表征图谱

1-(3-氨丙基)-2-吡咯烷酮 基本信息

中文名称:
1-(3-氨丙基)-2-吡咯烷酮 
中文别名:
1-(3-氨基丙基)-2-吡咯烷酮;
N-(3'-氨丙基)-2-吡咯烷酮;
N-(3'-丙胺基)-2-吡咯烷酮;
N-(3-氨基丙基)-2-吡咯烷酮 
英文名称:
2-Pyrrolidinone,1-(3-aminopropyl)-
英文别名:
N-(3‘-Aminopropyl)-2-pyrrolidinone;
1-(3-aminopropyl)pyrrolidin-2-one 
CAS No.:
7663-77-6
分 子 式:
C7H14N2O
分 子 量:
142.2
精确分子量:
142.11100
PSA:
46.33000
MDL:
MFCD00003201
EINECS:
231-632-7
InChI:
InChI=1/C7H14N2O/c8-4-2-6-9-5-1-3-7(9)10/h1-6,8H2/p+1
风险术语:
R34
安全术语:
S26S27S45S36/S37/S39
分子结构式:
SDS:
查看

1-(3-氨丙基)-2-吡咯烷酮 物化性质

密度:
1.014 g/mL at 25 °C(lit.)
沸点:
120-123 °C1 mm Hg(lit.)
闪点:
>230 °F
折射率:
n20/D 1.5(lit.)
其它信息:

1.      性状:未确定

2.      密度(g/mL 25ºC):1.014

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):154

5.      沸点(ºC1mmHg):120-123

6.      沸点(ºC,5.2kPa):未确定

7.      折射率(n20/D):1.5

8.      闪点(ºC0.2mmHg):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(25℃):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(mg/mL):水:未确定

1-(3-氨丙基)-2-吡咯烷酮 安全信息

海关代码:
2933790090
WGK_Germany:
3
德国有关水污染物质的分类清单
危险类别码:
R34
安全说明:
S26-S27-S36/37/39-S45
RTECS号:
UY5739500
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S27:立刻除去所有污染衣物。
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:
C,Xi

1-(3-氨丙基)-2-吡咯烷酮 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY5739500
CHEMICAL NAME :
2-Pyrrolidinone, 1-(3-aminopropyl)-
CAS REGISTRY NUMBER :
7663-77-6
BEILSTEIN REFERENCE NO. :
0114960
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C7-H14-N2-O
MOLECULAR WEIGHT :
142.23
WISWESSER LINE NOTATION :
T5NVTJ A3Z

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1600 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
AECTCV Archives of Environmental Contamination and Toxicology. (Springer-Verlag New York, Inc., Service Center, 44 Hartz Way, Secaucus, NJ 070944) V.1- 1973- Volume(issue)/page/year: 14,111,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
320 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#05698
生态数据:

其它有害作用:该物质对环境可能有危害,对水体应给予特别注意

1-(3-氨丙基)-2-吡咯烷酮 MSDS

Name: N-(3 -Aminopropyl)-2-Pyrrolidinone 95% (GC) Material Safety Data Sheet
Synonym: None
CAS: 7663-77-6
Section 1 - Chemical Product   MSDS Name:N-(3 -Aminopropyl)-2-Pyrrolidinone 95% (GC) Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
7663-77-6 N-(3'-Aminopropyl)-2-Pyrrolidinone 95 231-632-7
Hazard Symbols: None Listed.
Risk Phrases: None Listed.

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:

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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Use water spray to keep fire-exposed containers cool. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Containers may explode when heated.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Cool containers with flooding quantities of water until well after fire is out. 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:
Avoid runoff into storm sewers and ditches which lead to waterways.
Clean up spills immediately, observing precautions in the Protective Equipment section. Remove all sources of ignition. Absorb spill using an absorbent, non-combustible material such as earth, sand, or vermiculite. Do not use combustible materials such as sawdust.
Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 7663-77-6: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 120.0 - 123.0 deg C @ 1.00mm
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: > 112 deg C (> 233.60 deg F)
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density: 1.0140g/cm3
Molecular Formula: C7H14N2O
Molecular Weight: 142.20

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 7663-77-6: UY5739500 LD50/LC50:
Not available.
Carcinogenicity:
N-(3'-Aminopropyl)-2-Pyrrolidinone - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
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# 7663-77-6: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7663-77-6 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7663-77-6 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

1-(3-氨丙基)-2-吡咯烷酮 海关数据

中国海关编码:2933790090

概述:
2933790090 其他内酰胺. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:9.0% 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:
2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%

1-(3-氨丙基)-2-吡咯烷酮 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:39.63

2、   摩尔体积m3/mol134.0

3、   等张比容(90.2K):342.0

4、   表面张力dyne/cm42.3

        5、   极化率10-24cm315.71

计算化学数据

1.疏水参数计算参考值(XlogP):-0.8

2.氢键供体数量:1

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:2

6.拓扑分子极性表面积46.3

7.重原子数量:10

8.表面电荷:0

9.复杂度:125

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:0

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-(3-氨丙基)-2-吡咯烷酮 上游产品

1-(3-氨丙基)-2-吡咯烷酮 下游产品

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