Methyl 3-(4-(bromomethyl)phenyl)-2-propenoate

HCID 53395294CAS 946-99-6

基本情報

標準SMILES: COC(=O)C=Cc1ccc(CBr)cc1
InChIKey: ZSRCGGBALFGALF-UHFFFAOYSA-N
分子式: C11H11BrO2
平均分子量: 255.11 g/mol
単同位体質量: 253.99424169

名称と識別子

優先名称: Methyl 3-(4-(bromomethyl)phenyl)-2-propenoate
IUPAC: methyl 3-[4-(bromomethyl)phenyl]prop-2-enoate

名称と別名

Methyl 3-[4-(bromomethyl)phenyl]-2-propenoateMethyl 3-(4-(bromomethyl)phenyl)-2-propenoateRefChem:354671946-99-6methyl 3-[4-(bromomethyl)phenyl]prop-2-enoate4-bromomethyl cinnamateOzagrel Impurity 642-Propenoic acid, 3-[4-(bromomethyl)phenyl]-, methyl esterMethyl 3-(4-bromomethyl)SCHEMBL1125372ZSRCGGBALFGALF-UHFFFAOYSA-NDTXSID401250638

名称をさらに表示

AKOS025243928DS-017545F8692964-Bromomethylcinnamic acid methyl ester; 3-(4-Brommethyl)-phenyl-propenoic acid methyl ester

データベース識別子

CAS: 946-99-6
PubChem CID: 53395294
DTXSID: DTXSID401250638
EC Number: 619-059-4

物性

構造計算による物性

XLogP: 3.2
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: 4
重原子数: 14
形式電荷: 0
複雑度: 205

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.