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1198-97-6生产厂家

1198-97-6价格

1198-97-6

1198-97-6结构式
1198-97-6结构式

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中文名 4-苯基-2-吡咯烷酮
英文名 4-Phenyl-2-pyrrolidone
中文别名 4-苯基-2-吡咯酮
英文别名 4-phenylpyrrolidin-2-one
2-Pyrrolidinone, 4-phenyl-
4-Phenyl-2-pyrrolidinone
密度 1.1±0.1 g/cm3
沸点 362.3±31.0 °C at 760 mmHg
熔点 96 °C
分子式 C10H11NO
分子量 161.200
闪点 212.4±9.8 °C
精确质量 161.084061
PSA 29.10000
LogP 0.20
外观性状 固体;White to Light yellow powder to crystal
蒸汽压 0.0±0.8 mmHg at 25°C
折射率 1.551
储存条件 0-10°C;存放于惰性气体之中;避免湿气 (分解),加热
水溶解性 可溶于:甲醇
分子结构

1、 摩尔折射率:46.36

2、 摩尔体积(m3/mol):145.4

3、 张比容(90.2K):365.7

4、 表面张力(dyne/cm):40.0

5、 介电常数:无可用

6、 偶极距(10 -24cm 3):无可用

7、 极化率:18.38

计算化学

1.疏水参数计算参考值(XlogP):1

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:1

5.互变异构体数量:3

6.拓扑分子极性表面积29.1

7.重原子数量:12

8.表面电荷:0

9.复杂度:173

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

更多

1. 性状:未确定

2. 密度(g/cm3,20℃):未确定

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,15mmHg):未确定

7. 折射率(n20/D):未确定

8. 闪点(ºF):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(psi,55ºC):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

Material Safety Data Sheet

Section1. Identification of the substance
Product Name: 4-Phenyl-2-pyrrolidone
Synonyms:

Section2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.

Section3. Composition/information on ingredients.
Ingredient name:4-Phenyl-2-pyrrolidone
CAS number:1198-97-6

Section4. First aid measures
Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing
contaminated clothing and shoes. If irritation persists, seek medical attention.
Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical
attention.
Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section5. Fire fighting measures
In the event of a fire involving this material, alone or in combination with other materials, use dry
powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
should be worn.

Section6. Accidental release measures
Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
standards.
Respiratory precaution:Wear approved mask/respirator
Hand precaution:Wear suitable gloves/gauntlets
Skin protection:Wear suitable protective clothing
Eye protection:Wear suitable eye protection
Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
for disposal. See section 12.
Environmental precautions: Do not allow material to enter drains or water courses.

Section7. Handling and storage
Handling:This product should be handled only by, or under the close supervision of, those properly qualified
in the handling and use of potentially hazardous chemicals, who should take into account the fire,
health and chemical hazard data given on this sheet.
Store in closed vessels.
Storage:

Section8. Exposure Controls / Personal protection
Engineering Controls: Use only in a chemical fume hood.
Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section9. Physical and chemical properties
Appearance:Not specified
Boiling point:No data
No data
Melting point:
Flash point:No data
Density:No data
Molecular formula:C10H11NO
Molecular weight:161.2

Section10. Stability and reactivity
Conditions to avoid: Heat, flames and sparks.
Materials to avoid: Oxidizing agents.
Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section11. Toxicological information
No data.

Section12. Ecological information
No data.

Section13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section14. Transportation information
Non-harzardous for air and ground transportation.

Section15. Regulatory information
No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A

毒理学数据:

1、急性毒性:小鼠引入腹膜LD50:325mg/kg:精神萎靡,动作失调

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY5912000
CHEMICAL NAME :
2-Pyrrolidinone, 4-phenyl-
CAS REGISTRY NUMBER :
1198-97-6
LAST UPDATED :
198608
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C10-H11-N-O
MOLECULAR WEIGHT :
161.22
WISWESSER LINE NOTATION :
T5MVTJ DR

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
325 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Behavioral - ataxia
REFERENCE :
AITEAT Archivum Immunologiae et Therapiae Experimentalis. (Ars Polona, POB 1001, 00-068 Warsaw 1, Poland) V.10- 1962- Volume(issue)/page/year: 23,733,1975
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
352 mg/kg
TOXIC EFFECTS :
Autonomic Nervous System - smooth muscle relaxant (mechanism undefined, spasmolytic) Behavioral - changes in motor activity (specific assay) Behavioral - muscle weakness
REFERENCE :
PCJOAU Pharmaceutical Chemistry Journal (English Translation). Translation of KHFZAN. (Plenum Pub. Corp., 233 Spring St., New York, NY 10013) No.1- 1967- Volume(issue)/page/year: 14,776,1980
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Mammal - species unspecified
DOSE/DURATION :
352 mg/kg
TOXIC EFFECTS :
Behavioral - changes in motor activity (specific assay) Behavioral - muscle weakness Behavioral - analgesia
REFERENCE :
RPTOAN Russian Pharmacology and Toxicology (English Translation). Translation of FATOAO. (Euromed Pub., 33, Woodlands Rd., Surbiton, Surrey, UK) V.30- 1967- Volume(issue)/page/year: 44,22,1981

危害码 (欧洲) Xi
海关编码 2933790090
海关编码 2933790090
中文概述 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
Summary 2933790090. other lactams. VAT:17.0%. Tax rebate rate:9.0%. . MFN tariff:9.0%. General tariff:20.0%