CAS 145908-29-8 Methyl 2-(bromomethyl)-4-chlorobenzoate (HCID 20814722)

基本情報

CAS: 145908-29-8
標準SMILES: COC(=O)c1ccc(Cl)cc1CBr
InChIKey: LGLIPOQXOPCFRN-UHFFFAOYSA-N
分子式: C9H8BrClO2
平均分子量: 263.51 g/mol
単同位体質量: 261.93962

名称と識別子

優先名称: Methyl 2-(bromomethyl)-4-chlorobenzoate
IUPAC: methyl 2-(bromomethyl)-4-chlorobenzoate
現地名: 2‐ブロモメチル‐4‐クロロ安息香酸メチル
英語名: 2-Bromomethyl-4-chloro-benzoic acid methyl ester
分子式: C9H8BrClO2
分子量: 263.52

名称と別名

145908-29-8methyl 2-(bromomethyl)-4-chlorobenzoateDTXSID30609909RefChem:353903DTXCID10560665958-129-1Methyl 2-bromomethyl-4-chlorobenzoate2-(Bromomethyl)-4-chloro-benzoic acid methyl ester2-BROMOMETHYL-4-CHLORO-BENZOIC ACID METHYL ESTERMFCD11505950Benzoic acid, 2-(bromomethyl)-4-chloro-, methyl esterSCHEMBL1017404

名称をさらに表示

2‐ブロモメチル‐4‐クロロ安息香酸メチル2-(ブロモメチル)-4-クロロ安息香酸メチル2-ブロモメチル-4-クロロ安息香酸メチル2-bromethyl-4-chloromethyl benzoate

LGLIPOQXOPCFRN-UHFFFAOYSA-NCL8531methyl 4-chloro-2-bromomethylbenzoateAKOS015920064GS-4064methyl2-(bromomethyl)-4-chlorobenzoateSB33693methyl 2-(bromomethyl)-4-chloro-benzoate

データベース識別子

CAS: 145908-29-8
PubChem CID: 20814722
DTXSID: DTXSID30609909
EC Number: 958-129-1

物性

構造計算による物性

XLogP: 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: 13
形式電荷: 0
複雑度: 186

物理化学的性質

貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.