异丁酰肼

  • 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

异丁酰肼 基本信息

中文名称:
异丁酰肼 
中文别名:
异丁酸肼;
异丁酰肼 
英文名称:
Propanoic acid,2-methyl-, hydrazide
英文别名:
2-Methylpropanohydrazide;
2-methylpropanehydrazide 
CAS No.:
3619-17-8
分 子 式:
C4H10N2O
分 子 量:
102.13
精确分子量:
102.07900
PSA:
55.12000
InChI:
InChI=1/C4H10N2O/c1-3(2)4(7)6-5/h3H,5H2,1-2H3,(H,6,7)
风险术语:
R20/21/22R36/37/38
安全术语:
S26S36/S37/S39
分子结构式:
SDS:
查看

异丁酰肼 物化性质

外观与性状:
白色晶体
密度:
0.976 g/cm3
熔点:
97 °C
沸点:
238.6ºCat 760 mmHg
闪点:
98.1ºC
折射率:
1.442
存储条件/存储方法:

避光,通风干燥处,密封保存

稳定性相关:

常温常压下稳定

其它信息:

1.       性状:不确定

2.       密度dg/mL,25/4):不确定

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点mpºC):97                                        

5.       沸点(ºC,常压):不确定                                                     

6.       沸点bpºC,24mm):不确定

7.       折射率:不确定

8.       闪点fpºC):不确定              

9.       比旋光度(º):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

异丁酰肼 安全信息

海关代码:
2928000090
危险类别码:
R20/21/22
安全说明:
S26-S36/37/39
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。
:
危险标志:
Xi: Irritant;

异丁酰肼 毒理性

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NQ4700000
CHEMICAL NAME :
Isobutyric acid, hydrazide
CAS REGISTRY NUMBER :
3619-17-8
BEILSTEIN REFERENCE NO. :
0605579
LAST UPDATED :
199712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C4-H10-N2-O
MOLECULAR WEIGHT :
102.16
WISWESSER LINE NOTATION :
ZMVY1&1

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 :
767 mg/kg
TOXIC EFFECTS :
Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - monoamine oxidase
REFERENCE :
JMPCAS Journal of Medicinal and Pharmaceutical Chemistry. (Washington, DC) V.1-5, 1959-62. For publisher information, see JMCMAR. Volume(issue)/page/year: 4,259,1961
毒理学数据:

急性毒性:

小鼠腹腔LD50767mg/kg

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境

异丁酰肼 MSDS

  Material Safety Data Sheet

Section 1. Identification of the substance
    Product Name:      Isobutyric acid hydrazide    
    Synonyms:

Section 2. Hazards identification
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        Isobutyric acid hydrazide    
    CAS number:        3619-17-8    

Section 4. 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.    

Section 5. 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.

Section 6. 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.

Section 7. 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:

Section 8. 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.

Section 9. Physical and chemical properties
    Appearance:        Not specified    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C4H10N2O    
    Molecular weight:        102.1    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, flames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, nitrogen oxides.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. 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.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

Section 15. 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

异丁酰肼 海关数据

中国海关编码:2928000090

概述:
2928000090 其他肼(联氨)及胲(羟胺)的有机衍生物。监管条件:无。增值税率:17.0%。退税率:9.0%。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
摘要/Summary:
2928000090 other organic derivatives of hydrazine or of hydroxylamine VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

异丁酰肼 分子结构与计算化学数据

分子结构数据

1、   摩尔折射率:27.69

2、   摩尔体积(m3/mol):104.5

3、   等张比容(90.2K):250.7

4、   表面张力(dyne/cm):33.0

5、   极化率10-24cm3):10.98

计算化学数据

1、   疏水参数计算参考值(XlogP3):-0.6

2、   氢键供体数量:2

3、   氢键受体数量:2

4、   可旋转化学键数量:1

5、   互变异构体数量:2

6、   拓扑分子极性表面积(TPSA):55.1

7、   重原子数量:7

8、   表面电荷:0

9、   复杂度:70.1

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

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