基本情報
- CAS
2549-51-1- 標準SMILES
C=COC(=O)CCl- InChIKey
XJELOQYISYPGDX-UHFFFAOYSA-N- 分子式
- C4H5ClO2
- 平均分子量
- 120.53 g/mol
- 単同位体質量
- 119.99780708
概要
Vinyl chloroacetate appears as a colorless to light yellow colored liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation or skin absorption.
名称と識別子
- 優先名称
- Vinyl chloroacetate
- IUPAC
- ethenyl 2-chloroacetate
- 現地名
- クロロ酢酸ビニル
- 英語名
- Vinyl chloroacetate
- 分子式
- C4H5ClO2
- 分子量
- 120.53
名称と別名
Vinyl chloroacetateethenyl 2-chloroacetateAcetic acid, 2-chloro-, ethenyl esterEINECS 219-834-39V67DD44DSDTXSID0062509XJELOQYISYPGDX-UHFFFAOYSA-UN 2589vinyl monochloroacetateRefChem:194315DTXCID1037309219-834-3
名称をさらに表示
クロロ酢酸ビニルビニル=クロロアセタートクロロ酢酸ビニル, 99%, STAB. WITH 4-METHOXYPHENOLvinylchloracetateVinylchloroacetate,99%Chloroacetic acid vinylethenyl 2-chloroethanoateVINYL CHLOROACETATE, STAB.chloro-aceticaciethenylester2-chloroacetic acid vinyl ester
InChI=1/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2XJELOQYISYPGDX-UHFFFAOYSA-N2549-51-1Acetic acid, chloro-, ethenyl esterChloroacetic Acid Vinyl EsterAcetic acid, chloro-, vinyl esterVinyl Chloroacetate (stabilized with MEHQ)MFCD00045275
データベース識別子
- CAS
2549-51-1- PubChem CID
- 82156
物性
構造計算による物性
- XLogP
- 1.2
- 極性表面積
- 26.3 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 3
- 重原子数
- 7
- 形式電荷
- 0
- 複雑度
- 79.8
実験および物理化学的性質
Physical Description
Vinyl chloroacetate appears as a colorless to light yellow colored liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation or skin absorption.
Liquid
物理化学的性質
- 沸点
- 37 · 37-38°C 16mm
- 比重(密度)
- 1.192 g/mL · 1.192 g/mL at 20 °C
- 蒸気圧
- 6.973 hPa · 6.973hPa at 20℃
- 屈折率
- 20 · n20/D 1.444
- 闪点
- 51 °C · 51°C
- 貯蔵温度
- 2 · 2-8°C
- 水溶解度
- 水に混ざりにくい。
- BRN
- 1741679 · 1741679
- InChI
- 1S/C4H5ClO2/c1-2-7-4(6)3-5/h2H,1,3H2
- InChIKey
- XJELOQYISYPGDX-UHFFFAOYSA-N
- SMILES
- ClCC(=O)OC=C
- LogP
- 0.63 · 0.63
- CAS データベース
- 2549 · 2549-51-1(CAS DataBase Reference)
- EPAの化学物質情報
- 2 · Acetic acid, 2-chloro-, ethenyl ester (2549-51-1)
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P330, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Regulatory Information
Chemical: Acetic acid, chloro-, ethenyl ester
Acetic acid, 2-chloro-, ethenyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-chloro-, ethenyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 25-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/24817
DOT LabelPoison Flammable Liquid
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.
DOT ID and Guide2589 155
Reactive GroupEsters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters
化学と産業
用途と製造
U.S. Production2023: 31,040 lb
Industry UsesMonomers
General Manufacturing Information
Rubber Product Manufacturing
Acetic acid, 2-chloro-, ethenyl ester: ACTIVE
応用分野
使用Vinyl chloroacetate was used to study the effect of the electron-withdrawing groups on the ligand in a series of bis(acetylacetonate)cobalt(II) derivatives.
一般的な説明Vinyl chloroacetate appears as a colorless to light yellow colored liquid. Insoluble in water and denser than water. Contact may irritate skin, eyes and mucous membranes. Toxic by ingestion, inhalation or skin absorption.
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