6-ブロモベンゾ[B]チオフェン-2-カルボン酸メチル

6-Bromo-benzo[b]thiophene-2-carboxylic acid methyl ester

HCID 22474078

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 360576-01-8
標準SMILES: COC(=O)c1cc2ccc(Br)cc2s1
InChIKey: SFDVDNLBYGHFNF-UHFFFAOYSA-N
分子式: C10H7BrO2S
平均分子量: 271.13 g/mol
単同位体質量: 269.93501256

名称と識別子

優先名称: 6-Bromo-benzo[b]thiophene-2-carboxylic acid methyl ester
IUPAC: methyl 6-bromo-1-benzothiophene-2-carboxylate
現地名: 6-ブロモベンゾ[B]チオフェン-2-カルボン酸メチル
英語名: 6-Bromo-benzo[b]thiophene-2-carboxy lic acid methyl ester
分子式: C10H7BrO2S
分子量: 271.13

名称と別名

6-Bromo-benzo[b]thiophene-2-carboxylic acid methyl ester6-Bromo-benzo(b)thiophene-2-carboxylic acid methyl esterRefChem:541192692-362-7360576-01-8Methyl 6-bromobenzo[b]thiophene-2-carboxylateMethyl 6-bromo-1-benzothiophene-2-carboxylateMFCD073715416-bromobenzothiophene-2-carboxylic acid methyl ester6-BROMO-BENZO[B]THIOPHENE-2-CARBOXY LIC ACID METHYL ESTERmethyl 6-bromobenzothiophene-2-carboxylatemethyl6-bromobenzo[b]thiophene-2-carboxylate

名称をさらに表示

6-ブロモベンゾ[B]チオフェン-2-カルボン酸メチル6-ブロモ-1-ベンゾチオフェン-2-カルボン酸メチル6-ブロモベンゾチオフェン-2-カルボン酸メチルエステル6-bromo-benzo[b]thiophene-2-carboxyLMethyl 6-BroMobenzo[b]thiophene-2-carboxyPiperazine,1-(3-chlorophenyl)-,hydrochloride(1:4)6-BroMo-1-benzothiophene-2-carboxylic Acid Methyl EsterBenzo[b]thiophene-2-carboxylic acid, 6-bromo-, methyl esterMethyl 6-bromo-1-benzothiophene-2-carboxylate, 6-Bromo-2-(methoxycarbonyl)benzo[b]thiophene

DTXSID50625904CS1251SY104145AMY5738SCHEMBL497904SCHEMBL29445391AKOS005073408LA-0701

データベース識別子

CAS: 360576-01-8
PubChem CID: 22474078
DTXSID: DTXSID50625904
EC Number: 692-362-7

物性

構造計算による物性

XLogP: 3.8
極性表面積: 54.5 Å²
水素結合供与体数: 0
水素結合受容体数: 3
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 234

物理化学的性質

融点: 117 · 117-119°
沸点: 358.9 · 358.9±22.0 °C(Predicted)
比重(密度): 1.622 · 1.622±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C(protect from light)
外見: powder
色: Off-white

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

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.