CAS 17514-63-5 5-Fluoro-3-methyl-benzo[b]thiophene (HCID 596828)

基本情報

CAS: 17514-63-5
標準SMILES: Cc1csc2ccc(F)cc12
InChIKey: ARYSXQXKEJNADL-UHFFFAOYSA-N
分子式: C9H7FS
平均分子量: 166.22 g/mol
単同位体質量: 166.02524944

名称と識別子

優先名称: 5-Fluoro-3-methyl-benzo[b]thiophene
IUPAC: 5-fluoro-3-methyl-1-benzothiophene
現地名: 5-フルオロ-3-メチルベンゾ[B]チオフェン (F-3-MBT), IN ISOOCTANE (100ΜG/ML)
英語名: 5-Fluoro-3-methylbenzo[b]thiophene
分子式: C9H7FS
分子量: 166.22

名称と別名

5-fluoro-3-methyl-benzo[b]thiophene5-Fluoro-3-methyl-benzo(b)thiopheneRefChem:535881671-918-25-fluoro-3-methylbenzo[b]thiophene17514-63-55-Fluoro-3-methyl-1-benzothiopheneBenzo[b]thiophene, 5-fluoro-3-methyl-MFCD00179348C9H7FS5-fluoro-3-methylbenzo(b)thiophene5-fluoro-3-methylthianaphthene

名称をさらに表示

5-フルオロ-3-メチルベンゾ[B]チオフェン (F-3-MBT), IN ISOOCTANE (100ΜG/ML)5-フルオロ-3-メチルベンゾ[B]チオフェンBUTTPARK 89\07-155-Fluoro-3-methylthianaphthene, 90+%5-Fluoro-3-methylbenzo[b]thiophene97%5-Fluoro-3-methylbenzo[b]thiophene 97%5-Fluoro-3-methylbenzo[b]thiophene, 90+%

SCHEMBL545092SCHEMBL546209orb3030448SCHEMBL2095397SCHEMBL48778665-Fluoro-3-methylbenzothiopheneSCHEMBL137357325-fluoro-3-methyl-benzothiophene

データベース識別子

CAS: 17514-63-5
PubChem CID

物性

構造計算による物性

XLogP: 3.4
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: 2
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 148

物理化学的性質

沸点: 68 °C · 68 °C
闪点: 68 °C/0.5mm · 68°C/0.5mm
貯蔵温度: 2 · 2-8°C
CAS データベース: 17514 · 17514-63-5(CAS DataBase Reference)

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.