异丁酰氯

Isobutyryl chloride

HCID 62325CAS 79-30-1

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

Isobutyryl chloride79-30-12-Methylpropanoyl chlorideIsobutanoyl chloridePROPANOYL CHLORIDE, 2-METHYL-DTXSID0052542isopropanecarbonyl chloridei-butyryl chlorideEINECS 201-194-1UN23952-methylpropanoic acid chloride6617F0VJZC
展开更多名称
异丁酰異丁醯氯氯异丁酰异丁酰氯氯化异丁酰异丁基酰氯2-甲基丙酰氯Α-甲基丙醯氯氯(化)异丁酰异丁酰氯,98%isobutyrylIBCLISOBUTANOYLCHLORIDEIsoburyryl chloride2-METHYLPROPIONYL CHLORIDEISOBUTRYL CHLORIDElsobutyryl chlorideISOBUTYROYL CHLORIDE
2,2-dimethylacetyl chlorideUNII-6617F0VJZCDTXCID70311152-PROPYLCARBONYL CHLORIDEEC 201-194-1UN 23952methylpropanoyl chloride2methylpropionyl chloride

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

实验与物化性质

Chemical Classes · 2 条

Toxic Gases & Vapors -> Acid Halides

Flammable agents - 3rd degree

SpringerMaterials PropertiesSchoenflies notation
Physical Description · 2 条

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

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 · 6 条

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

Hazards IdentificationWater-reactive material (WR)
Regulatory Information · 3 条

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.)

DOT LabelFlammable Liquid Corrosive
Fire Hazards · 2 条

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 · 2 条

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 · 1 条

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]

安全与防护

Fire FightingExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Accidental Release Measures · 2 条

· 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 · 2 条

Excerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:

General First Aid:

Exposure Control and Personal Protection · 2 条

· 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].

Nonfire Spill ResponseExcerpt from ERG Guide 155 [Substances - Toxic and/or Corrosive (Flammable / Water-Sensitive)]:
Isolation and Evacuation · 4 条

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

Adverse EffectsDermatotoxin - Skin burns.
Toxicity DataLCLo (rat) = 11,600 mg/m3/4hr

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

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 · 3 条

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

UsesToxic Gas from Spilling Chemical in Water [Category: Other]
General Manufacturing InformationPropanoyl chloride, 2-methyl-: ACTIVE

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。

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

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

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