CAS 221030-79-1 4-Bromo-2-fluorothioanisole (HCID 21934064)

基本情報

CAS: 221030-79-1
標準SMILES: CSc1ccc(Br)cc1F
InChIKey: YHOVMTICYSGLFD-UHFFFAOYSA-N
分子式: C7H6BrFS
平均分子量: 221.09 g/mol
単同位体質量: 219.93576

名称と識別子

優先名称: 4-Bromo-2-fluorothioanisole
IUPAC: 4-bromo-2-fluoro-1-methylsulfanylbenzene
英語名: 4-bromo-2-fluoro-1-methylthiobenzene
分子式: C7H6BrFS
分子量: 221.09

名称と別名

4-Bromo-2-fluorothioanisoleRefChem:519711821-335-6221030-79-1(4-Bromo-2-fluorophenyl)(methyl)sulfaneMFCD127564554-bromo-2-fluoro-1-methylsulfanylbenzene4-bromo-2-fluoro-1-methylsulfanyl-benzeneBenzene, 4-bromo-2-fluoro-1-(methylthio)-4-Bromo-2-fluoro-1-(methylsulfanyl)benzeneSCHEMBL1581643SCHEMBL29504598

名称をさらに表示

4-bromo-2-fluoro-1-methylthiobenzene

DTXSID00620308YHOVMTICYSGLFD-UHFFFAOYSA-NAKOS015835507BS-16054SY317039DB-367446CS-0007702D82637

データベース識別子

CAS: 221030-79-1
PubChem CID: 21934064
DTXSID: DTXSID00620308
EC Number: 821-335-6

物性

構造計算による物性

XLogP: 3.2
極性表面積: 25.3 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: 1
重原子数: 10
形式電荷: 0
複雑度: 110

物理化学的性質

貯蔵温度: Keep in dark place,Sealed in dry,Room Temperature

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (100%): 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, 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.