3619-17-8

• 常用中文名：异丁酸酰肼
• 常用英文名：Isobutyric acid hydrazide
• CAS号：3619-17-8
• 分子式：C₄H₁₀N₂O
• 分子量：102.135
• 发布时间：2018-08-30 13:19:21
• 更新时间：2024-01-09 10:39:44

名称

• 中文名: 异丁酸肼
• 英文名: 2-Methylpropanohydrazide
• 中文别名: 异丁酰肼
• 英文别名: 2-Methylpropanehydrazide; MFCD00025122; Propanoic acid, 2-methyl-, hydrazide; Isobutyric acid hydrazide

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 238.6±9.0 °C at 760 mmHg
• 熔点: 97 °C
• 分子式: C₄H₁₀N₂O
• 分子量: 102.135
• 闪点: 98.1±18.7 °C
• 精确质量: 102.079315
• PSA: 55.12000
• LogP: -0.76
• 外观性状: 白色晶体
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.443
• 储存条件:

  避光，通风干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 水溶解性: 可溶于：甲醇
• 分子结构:

  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 ^-24cm ³）：10.98

• 计算化学:

  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

• 更多:

  1. 性状：不确定

  2. 密度d（g/mL,25/4℃）：不确定

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点mp（ºC）：97

  5. 沸点（ºC,常压）：不确定

  6. 沸点bp（ºC, 24mm ）：不确定

  7. 折射率：不确定

  8. 闪点fp（ºC）：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

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: Isobutyric acid hydrazide Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Section3. Composition/information on ingredients. Ingredient name:Isobutyric acid hydrazide CAS number:3619-17-8 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:C4H10N2O Molecular weight:102.1 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

毒性和生态

毒理学数据: 急性毒性： 小鼠腹腔LD50：767mg/kg 生态学数据: 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 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

安全

• 危害码 (欧洲): Xi: Irritant;
• 风险声明 (欧洲): R20/21/22
• 安全声明 (欧洲): S26-S36/37/39
• 海关编码: 2928000090

合成路线

97-62-1 ~64% 3619-17-8

文献：Medicinal Chemistry, , vol. 9, # 7 p. 968 - 973

547-63-7 ~83% 3619-17-8

文献：Bioorganic and Medicinal Chemistry, , vol. 11, # 7 p. 1381 - 1387

2388-01-4 ~% 3619-17-8

文献：Bulletin of the Chemical Society of Japan, , vol. 41, p. 2521 - 2523

563-83-7 ~% 3619-17-8

文献：Recueil des Travaux Chimiques des Pays-Bas, , vol. 59, p. 1029,1034

上下游产品

上游产品  4
97-62-1 547-63-7 2388-01-4 563-83-7
下游产品  10
25996-52-5 79-30-1 59689-64-4 65283-97-8
133662-15-4 128153-96-8 149324-24-3 1530-53-6
1711-88-2 78-84-2

海关

海关编码	2928000090
中文概述	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
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%