イソ酪酸 クロリド

Isobutyryl chloride

HCID 62325CAS 79-30-1

基本情報

標準SMILES
CC(C)C(=O)Cl
InChIKey
DGMOBVGABMBZSB-UHFFFAOYSA-N
分子式
C4H7ClO
平均分子量
106.55 g/mol
単同位体質量
106.01854252

概要

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.

名称と識別子

優先名称
Isobutyryl chloride
IUPAC
2-methylpropanoyl chloride
現地名
イソ酪酸 クロリド
英語名
Isobutyryl chloride
分子式
C4H7ClO
分子量
106.55

名称と別名

Isobutyryl chloride79-30-12-Methylpropanoyl chlorideIsobutanoyl chloridePROPANOYL CHLORIDE, 2-METHYL-DTXSID0052542isopropanecarbonyl chloridei-butyryl chlorideEINECS 201-194-1UN23952-methylpropanoic acid chloride6617F0VJZC
名称をさらに表示
イソ酪酸 クロリド2-メチルプロパノイルクロリドイソ酪酸クロリド2-メチルプロピオニルクロリド塩化イソブチリル2-メチルプロピオン酸クロリドイソブチリルクロリド2-メチルプロパン酸クロリド塩化イソブチリル イソブチリルクロライドイソブチリル=クロリド塩化イソブタノイル塩化イソブチリル, 98%isobutyrylIBCLISOBUTANOYLCHLORIDEIsoburyryl chloride2-METHYLPROPIONYL CHLORIDEISOBUTRYL CHLORIDElsobutyryl chlorideISOBUTYROYL CHLORIDE
2,2-dimethylacetyl chlorideUNII-6617F0VJZCDTXCID70311152-PROPYLCARBONYL CHLORIDEEC 201-194-1UN 23952methylpropanoyl chloride2methylpropionyl chloride

データベース識別子

CAS
79-30-1
PubChem CID
62325
DTXSID
DTXSID0052542
UNII
6617F0VJZC
EC Number
201-194-1
Nikkaji
J3.839C

物性

構造計算による物性

XLogP
1.8
極性表面積
17.1 Ų
水素結合供与体数
0
水素結合受容体数
1
回転可能結合数
1
重原子数
6

実験および物理化学的性質

Chemical Classes · 2 件

Toxic Gases & Vapors -> Acid Halides

Flammable agents - 3rd degree

SpringerMaterials PropertiesSchoenflies notation
Physical Description · 2 件

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]

物理化学的性質

融点
-90 °C · -90 °C (lit.)
沸点
91 · 91-93 °C (lit.)
比重(密度)
1.017 g/mL · 1.017 g/mL at 25 °C (lit.)
蒸気圧
0.07 mm · 0.07 mm Hg ( 20 °C)
屈折率
20 · n20/D 1.407(lit.)
闪点
34 °F · 34 °F

化学的性質

化学的特性Colorless liquid.Soluble in ether; reacts with water and alcohol.

安全と法規制

GHS分類

GHS Classification · 6 件

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)

危険有害性情報

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

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 件

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 件

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 件

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]

安全と保護具

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

· 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 件

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

General First Aid:

Exposure Control and Personal Protection · 2 件

· 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 件

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

Immediate precautionary measure

When spilled in water

When spilled in water

毒性情報

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

安全データ

F
13
wgk
1
tsca
TSCA listed
rtecs
UC3944000
ridadr
UN 2395
hs_code
29159080

化学と産業

用途と製造

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

使用Isobutyryl chloride is used in the preparation of fully isobutyramide terminated hyperbranched polyethylenimines. It plays an important role in the separation and identification of shikonin and its ester derivatives in the root epidermis of Echium italicum L. It acts as an acylating agent for the ketimine derivatives of alfa-amino esters, nucleosides and pyrroles. Further, it is used in the preparation of organic peroxides. In addition to this, it is used as an intermediate for dyes, textile auxiliaries and peroxide compounds.

一般的な説明A colorless liquid. Flash point near 50°F. Irritates skin, eyes and mucous membranes. Toxic by ingestion, inhalation and skin absorption. Used to make other chemicals.

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