CAS 17347-32-9 6-Bromo-benzo[b]thiophene (HCID 12744400)

基本情報

CAS: 17347-32-9
標準SMILES: Brc1ccc2ccsc2c1
InChIKey: OQIMJOXSDVGEBU-UHFFFAOYSA-N
分子式: C8H5BrS
平均分子量: 213.1 g/mol
単同位体質量: 211.92953326

名称と識別子

優先名称: 6-Bromo-benzo[b]thiophene
IUPAC: 6-bromo-1-benzothiophene
現地名: 6-ブロモベンゾ[b]チオフェン
英語名: 6-BROMO-BENZO[B]THIOPHENE
分子式: C8H5BrS
分子量: 213.09

名称と別名

6-Bromobenzo[b]thiophene6-Bromo-benzo[b]thiophene6-bromobenzo(b)thiophene6-Bromo-benzo(b)thiopheneRefChem:541191605-681-317347-32-96-bromo-1-benzothiophene6-BROMOBENZOTHIOPHENEBENZO[B]THIOPHENE, 6-BROMO-MFCD11226847Cefmetazole Impurity 46

名称をさらに表示

6-ブロモベンゾ[b]チオフェン6-ブロモベンゾチオフェン6-Bromobenzothiophene in isooctaneBrexpiprazole Impurity 20 ,6-bromobenzo[b]thiophene

6-Bromobenzothiophene;Brexpiprazole Impurity 179SCHEMBL151104SCHEMBL207512SCHEMBL405354SCHEMBL306230846-Bromobenzo[b]thiophene, 97%DTXSID20508710

データベース識別子

CAS: 17347-32-9
PubChem CID: 12744400
DTXSID: DTXSID20508710
EC Number: 605-681-3

物性

構造計算による物性

XLogP: 3.6
極性表面積: 28.2 Å²
水素結合供与体数: 0
水素結合受容体数: 1
回転可能結合数: 0
重原子数: 10
形式電荷: 0
複雑度: 126

物理化学的性質

融点: 56 to · 56.0 to 60.0 °C
沸点: 140 °C/30mmHg · 140°C/30mmHg(lit.)
比重(密度): 1.649 · 1.649±0.06 g/cm3(Predicted)
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
外見: powder to crystal
色: White to Light yellow
InChI: InChI=1S/C8H5BrS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H
InChIKey: OQIMJOXSDVGEBU-UHFFFAOYSA-N
SMILES: C12=CC(Br)=CC=C1C=CS2

化学的性質

化学的特性off-white powder

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.