Benzo(b)thiophene, 3-bromo- (HCID 123250)

名称と識別子

優先名称: Benzo(b)thiophene, 3-bromo-
IUPAC: 3-bromo-1-benzothiophene
現地名: 3-ブロモ-1-ベンゾチオフェン
英語名: 3-Bromo-1-benzothiophene
分子式: C8H5BrS
分子量: 213.1

名称と別名

7342-82-73-Bromobenzothiophene3-Bromo-benzo[b]thiopheneBenzo[b]thiophene, 3-bromo-Benzo(b)thiophene, 3-bromo-DTXSID802236543-Bromo-benzo(b)thiopheneRefChem:565171DTXCID10146145680-931-23-Bromobenzo[b]thiophene3-Bromo-1-benzothiophene

名称をさらに表示

3-ブロモ-1-ベンゾチオフェン3-ブロモベンゾ[b]チオフェン3-ブロモチアナフテン3-ブロモベンゾ[b]チオフェン, 95%BUTTPARK 147\16-62BromothianaphtheneTIMTEC-BB SBB0034153-BroMothianaphthene 95%3-Bromo-1-benzothiophenec

3-BromothianaphtheneMFCD00023009Benzo[b]thiophene, 3-bromo-,3-bromo benzo[b]thiopheneBIDD:GT0742SCHEMBL264791B55893-bromo benzothiophene

データベース識別子

CAS: 7342-82-7
PubChem CID: 123250
DTXSID: DTXSID80223654
EC Number: 680-931-2
Nikkaji: J1.051.045G

物性

構造計算による物性

XLogP: 3.8
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: 146 · 146-156 °C
沸点: 269 °C/752.5 · 269 °C/752.5 mmHg (lit.)
比重(密度): 1.629 g/mL · 1.629 g/mL at 25 °C (lit.)
屈折率: 20 · n20/D 1.668(lit.)
闪点: 230 °F · >230 °F
貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature
溶解性: 難溶性 (0.14 g/L) (25°C)。
外見: clear liquid
色: Light yellow to Brown
InChI: InChI=1S/C8H5BrS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H
InChIKey: SRWDQSRTOOMPMO-UHFFFAOYSA-N
SMILES: C12=CC=CC=C1C(Br)=CS2
CAS データベース: 7342 · 7342-82-7(CAS DataBase Reference)
NISTの化学物質情報: 3 · Benzo[b]thiophene, 3-bromo-,(7342-82-7)

化学的性質

化学的特性Colorless to yellow to red liquid

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302+H312+H332 (16.7%): 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)

Aggregated GHS information provided per 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (16.7%)

安全データ

wgk: 3
hs_code: 29349990
risk_code: 36/37/38
消防法: 危-4-3-III
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
ストレージクラス: 11 - Combustible Solids

化学と産業

応用分野 · 2 件

使用Antifungal activity of synthetic di (hetero) arylamines based on the benzo [b] thiophene moiety.

一般的な説明3-Bromothianaphthene is a heteroaryl halide. It undergoes Suzuki-Miyaura reaction with phenylboronic acid (PBA) or 3-thienylboronic acid in the presence of a novel heterogeneous Pd catalyst [Pd@PDEB, PDEB=poly(1,3-diethynylbenzene)]. The substitution reaction of 3-bromothianaphthene with piperidine to form 3-piperidinothianaphthene as the major product has been reported.