2-ブロモメチルアクリル酸メチル

2-Propenoic acid, 2-(bromomethyl)-, methyl ester

HCID 521093

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基本情報

CAS: 4224-69-5
標準SMILES: C=C(CBr)C(=O)OC
InChIKey: CFTUQSLVERGMHL-UHFFFAOYSA-N
分子式: C5H7BrO2
平均分子量: 179.01 g/mol
単同位体質量: 177.96294156

名称と識別子

優先名称: 2-Propenoic acid, 2-(bromomethyl)-, methyl ester
IUPAC: methyl 2-(bromomethyl)prop-2-enoate
現地名: 2-ブロモメチルアクリル酸メチル
英語名: Methyl 2-(bromomethyl)acrylate
分子式: C5H7BrO2
分子量: 179.01

名称と別名

methyl 2-(bromomethyl)prop-2-enoateMethyl 2-(bromomethyl)-2-propenoate2-Propenoic acid, 2-(bromomethyl)-, methyl esterDTXSID4075243RefChem:479158DTXCID20400742-Propenoic acid, 2-(bromomethyl)-, methyl ester (9CI)627-431-2Methyl 2-(bromomethyl)acrylate4224-69-5MFCD000116972-(Bromomethyl)acrylic Acid Methyl Ester

名称をさらに表示

2-(ブロモメチル)プロペン酸メチル2-(ブロモメチル)アクリル酸メチル2-ブロモメチルアクリル酸メチルα-(ブロモメチル)アクリル酸メチル2-(ブロモメチル)アクリル酸メチル臭化物メチル 2-(ブロモメチル)アクリラートメチル 2-(ブロモメチル)プロパ-2-エノアート2-BROMOMETHYL METHYL ACRYLATEMethyl 2-(bromomethyl)propenoateMethyl2-(Bromomethyl)acrylate>methyl2-(bromomethyl)-2-propenoateMethyl 2-(bromomethyl)acrylate,96%2-(bromomethyl)-acrylicacimethylesterMethyl 2-(broMoMethyl)acrylate, 96% 5GRα-(Bromomethyl)acrylic acid methyl ester

2-(bromomethyl)-2-propenoicacimethylesterMethyl alpha-(bromomethyl)acrylatemethyl 2-bromomethylacrylateBRN 1852481Methyl2-(Bromomethyl)acrylateAcrylic acid, 2-(bromomethyl)-, methyl esterMethyl Bromomethyl Acrylatemethyl-2-bromomethylacrylate

データベース識別子

CAS: 4224-69-5
PubChem CID: 521093
DTXSID: DTXSID4075243
ChEMBL: CHEMBL1255721
EC Number: 627-431-2
Nikkaji: J450.250G

物性

構造計算による物性

XLogP: 1.3
極性表面積: 26.3 Å²
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: 8
形式電荷: 0
複雑度: 109

物理化学的性質

沸点: 35 · 35-37 °C/1.3 mmHg (lit.)
比重(密度): 1.489 g/mL · 1.489 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.490(lit.)
闪点: 173 °F · 173 °F
貯蔵温度: -20 °C · -20°C
溶解性: Chloroform (Slightly), Methanol (Slightly)
外見: 液体
色: 無色透明～やや茶褐色
BRN: 1852481 · 1852481
安定性: Light Sensitive
InChI: InChI=1S/C5H7BrO2/c1-4(3-6)5(7)8-2/h1,3H2,2H3
InChIKey: CFTUQSLVERGMHL-UHFFFAOYSA-N
SMILES: C(OC)(=O)C(CBr)=C
CAS データベース: 4224 · 4224-69-5(CAS DataBase Reference)
NISTの化学物質情報: 2 · Methyl 2-(bromomethyl)acrylate(4224-69-5)
EPAの化学物質情報: 2 · 2-Propenoic acid, 2-(bromomethyl)-, methyl ester (4224-69-5)

化学的性質

化学的特性Clear colorless to slightly brownish liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 44 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Regulatory Information2-Propenoic acid, 2-(bromomethyl)-, methyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesSkin Irrit. 2 (100%)