基本信息
- 标准SMILES
CC(C)C(=O)Cl- InChIKey
DGMOBVGABMBZSB-UHFFFAOYSA-N- 分子式
- C4H7ClO
- 平均分子量
- 106.55 g/mol
- 单同位素质量
- 106.01854252
概述
Isobutyryl chloride appears as a colorless liquid. Irritates skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
名称与标识
- 首选名称
- Isobutyryl chloride
- IUPAC
- 2-methylpropanoyl chloride
- 中文名
- 异丁酰氯
- 英文名
- Isobutyryl chloride
- 分子式
- C4H7ClO
- 分子量
- 106.55
名称与别名
展开更多名称
数据库标识
- CAS
79-30-1- PubChem CID
- 62325
- DTXSID
DTXSID0052542- UNII
- 6617F0VJZC
- EC Number
- 201-194-1
- Nikkaji
- J3.839C
性质
结构计算性质
- XLogP
- 1.8
- 极性表面积
- 17.1 Ų
- 氢键供体
- 0
- 氢键受体
- 1
- 可旋转键
- 1
- 重原子
- 6
- 形式电荷
- 0
- 复杂度
- 58.6
实验与物化性质
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Flammable agents - 3rd degree
Physical Description
Isobutyryl chloride appears as a colorless liquid. Irritates skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.
Liquid; [Alfa Aesar MSDS]
物理化学性质
- 熔点
- -90 °C · -90 °C (lit.)
- 沸点
- 91 · 91-93 °C (lit.)
- 密度
- 1.017 g/mL · 1.017 g/mL at 25 °C (lit.)
- 蒸气压
- 0.07 mm · 0.07 mm Hg ( 20 °C)
- 折射率
- 20 · n20/D 1.407(lit.)
- 闪点
- 34 °F · 34 °F
- 储存条件
- 30 °C · Store below +30°C.
- 溶解度
- Miscible with chloroform, glacial acetic acid, ether, toluene, methylene chloride and benzene.
- 形态
- Liquid
- 颜色
- Clear
- 气味 (Odor)
- Stench
- PH值
- 7 · <7 (H2O)
- 爆炸极限值(explosive limit)
- 2.1 · 2.1-8.2%(V)
- 水溶解性
- Reacts
- 敏感性
- Moisture Sensitive
- BRN
- 605393 · 605393
- InChI
- 1S/C4H7ClO/c1-3(2)4(5)6/h3H,1-2H3
- InChIKey
- DGMOBVGABMBZSB-UHFFFAOYSA-N
- SMILES
- CC(C)C(Cl)=O
- CAS 数据库
- 79 · 79-30-1(CAS DataBase Reference)
- NIST化学物质信息
- 2 · 2-Methylpropanoyl chloride(79-30-1)
- EPA化学物质信息
- 2 · Propanoyl chloride, 2-methyl- (79-30-1)
化学性质
无色液体。熔点-90℃,沸点92℃,相对密度1.0174(20/4℃),折光率1.4079,闪点1℃。溶于醚,遇水、醇分解。
安全与法规
GHS分类
GHS Classification
Danger
H225: Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P234, P240, P241, P242, P243, P260, P264, P264+P265, P270, P271, P280, P284, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P320, P321, P330, P363, P370+P378, P390, P403+P233, P403+P235, P405, P406, and P501 (click each P-code to see the statement)
危害信息
Regulatory Information
Status: Active Update: 20-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13467
Isobutyryl chloride: Does not have an individual approval but may be used under an appropriate group standard
The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)
Fire Hazards
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.
Health Hazards
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
· TOXIC and/or CORROSIVE; inhalation, ingestion or contact (skin, eyes) with vapors, dusts or substance may cause severe injury, burns or death.
Hazards Summary
A severe eye irritant; Causes focal lung fibrosis and acute pulmonary edema in inhalation lethal-concentration studies of rats; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Alfa Aesar MSDS]
Reactivity Profile
ISOBUTYRYL CHLORIDE is water reactive. Incompatible with strong oxidizing agents, alcohols, bases (including amines). May react vigorously or explosively if mixed with diisopropyl ether or other ethers in the presence of trace amounts of metal salts [J. Haz. Mat., 1981, 4, 291].
DOT Hazard Classification
Isobutyryl chloride
UN2395
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
Class 3 Flammable and combustible liquid (49 eCFR § 173.120)
PG II: the degree of danger presented by the material is medium
安全与防护
Accidental Release Measures
· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.
· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.
First Aid
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
General First Aid:
Exposure Control and Personal Protection
· Wear positive pressure self-contained breathing apparatus (SCBA).
TIH (Toxic Inhalation Hazard) - Term used to describe gases and volatile liquids that are toxic when inhaled. Some are TIH materials themselves, e.g., chlorine, and some release TIH gases when spilled in water, e.g., chlorosilanes. [ERG 2016].
Isolation and Evacuation
Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Immediate precautionary measure
When spilled in water
When spilled in water
毒理信息
安全数据
- F
- 13
- wgk
- 1
- tsca
- TSCA listed
- RTECS号
- UC3944000
- hazard_note
- Highly Flammable/Corrosive/Moisture Sensitive
- 包装类别
- II
- 危险等级
- 3
- 存储类别
- 3 - Flammable liquids
- 安全说明
- 16-23-26-36-45-36/37/39-28A
- 海关编码
- 29159080
- 自燃温度
- 325 °C
- 危险品标志
- F,C,T
- 危险性类别
- Flam. Liq. 2Skin Corr. 1A
- 危险类别码
- 11-35-23
- 危险品运输编号
- UN 2395
毒性防护
急性毒性吸入 -大鼠 LCL0: 11600 毫克/立方米/6小时
刺激数据眼睛-兔 100 毫克/24小时 重度
包装储运
可燃性危险特性明火、受热、氧化剂可燃; 受热、受潮、遇水放出含氯化物有毒气体
储运特性库房通风低温干燥; 轻装轻卸、与氧化剂和酸类分开存放
灭火剂泡沫、二氧化碳、1211灭火剂
化学与工业
用途与制造
应用领域
用途用作有机合成中间体,是生产高效光引发剂PI-906、PI-907的原料
制备方法
生产方法由异丁酸与氯化亚砜反应而得:在搅拌下,向氯化亚砜中滴加异丁酸,立即反应释放出氯化氢和二氧化硫。滴加完毕,继续搅拌,升温到80℃保持0.5h。蒸馏,收集宽馏分,再蒸馏收集92-92℃馏分即得成品。
上下游产品信息
上游原料
下游产品
试剂价格
- I0115 · 25G
- 异丁酰氯Isobutyryl Chloride — 260元
- I0115 · 100g
- 异丁酰氯Isobutyryl Chloride — 330元
供应商50 家
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