イソ酪酸 クロリド
Isobutyryl chloride
基本情報
- CAS
79-30-1- 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
- 106.0185425
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-i-butyryl chlorideisopropanecarbonyl chloride2-methylpropanoic acid chlorideDTXSID00525422,2-dimethylacetyl chlorideEINECS 201-194-1UN2395
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
6617F0VJZC2-PROPYLCARBONYL CHLORIDE2methylpropionyl chlorideUN 2395UNII-6617F0VJZCDTXCID7031115EC 201-194-12methylpropanoyl 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
- 形式電荷
- 0
- 複雑度
- 58.6
実験および物理化学的性質
Chemical Classes
Toxic Gases & Vapors -> Acid Halides
Flammable agents - 3rd degree
SpringerMaterials PropertiesSchoenflies notation
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]
物理化学的性質
- 融点
- 90 °C · −90 °C
- 沸点
- 91 · 91–93 °C (196–199 °F; 364–366 K)
- 比重(密度)
- 1.017 g/mL · 1.017 g/mL
- 蒸気圧
- 0.07 mm · 0.07 mm Hg ( 20 °C)
- 屈折率
- 1.41 · 1.41
- 闪点
- 9 °C · 9 °C
- 貯蔵温度
- 30 °C · Store below +30°C.
- 溶解性
- クロロホルム、氷酢酸、エーテル、トルエン、塩化メチレン、ベンゼンと混和します。
- 外見
- clear liquid
- 色
- Colorless to Light yellow
- 臭い (Odor)
- 悪臭
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
GHS分類
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)
危険有害性情報
Hazards IdentificationWater-reactive material (WR)
Regulatory Information
REACH registered substance: Isobutyryl chloride (EC: 201-194-1)
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
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.
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
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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