CAS 774-93-6 1-Bromo-4-(pentafluoro-lambda6-sulfanyl)benzene (HCID 2779194)

基本情報

CAS: 774-93-6
標準SMILES: FS(F)(F)(F)(F)c1ccc(Br)cc1
InChIKey: RECCABBXFXGELM-UHFFFAOYSA-N
分子式: C6H4BrF5S
平均分子量: 283.06 g/mol
単同位体質量: 281.91372433

名称と識別子

優先名称: 1-Bromo-4-(pentafluoro-lambda6-sulfanyl)benzene
IUPAC: (4-bromophenyl)-pentafluoro-λ6-sulfane
現地名: 4-ブロモフェニルサルファーペンタフルオリド
英語名: 1-Bromo-4-(pentafluorosulfanyl)benzene
分子式: C6H4BrF5S
分子量: 283.06

名称と別名

1-bromo-4-(pentafluoro-lambda6-sulfanyl)benzeneRefChem:430603640-300-44-Bromophenylsulfur pentafluoride774-93-61-bromo-4-(pentafluorosulfanyl)benzene4-Bromophenylsulphur pentafluoride(4-Bromophenyl)pentafluoro-l6-sulfaneMFCD03425928(4-bromophenyl)-pentafluoro-lambda6-sulfaneSCHEMBL21094-bromophenyl-sulfur pentafluoride

名称をさらに表示

4-ブロモフェニルサルファーペンタフルオリド4-ブロモフェニル硫黄ペンタフルオリドP-ブロモフェニル硫黄=ペンタフルオリド4-BROMOPHENYL-PENTAFLUOROSULFUR4-Pentafluorosulfur bromobenzenep-Bromophenylsulfur Pentafluoride1-BROMO-4-(PENTAFLUOROTHIO)BENZENE4-Bromophenylsulfur Pentafluoride >1-BROMO-4-(PENTAFLUOROSULFANYL)BENZENE4-BroMophenylsulfur pentafluoride, 95+%

(4-bromophenyl)-pentafluorosulfane1-bromo-4-(pentafluorsulfanyl)benzenePS-11535T713291-bromo-4-(pentafluoro-lambda~6~-sulfanyl)benzene4-Bromophenylsulphur pentafluoDTXSID70381313p-bromophenyl-sulfur pentafluoride

データベース識別子

CAS: 774-93-6
PubChem CID: 2779194
DTXSID: DTXSID70381313
EC Number: 640-300-4
Nikkaji: J3.535.920F

物性

構造計算による物性

XLogP: 5.9
極性表面積: 1 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 0
重原子数: 13
形式電荷: 0
複雑度: 200

物理化学的性質

沸点: 77.2 °C · 77.2 °C(Press: 10 Torr)
屈折率: 1.479 · 1.4790-1.4830
闪点: 84 °C · 84°C(lit.)
貯蔵温度: 0 · 0-10°C
外見: liquid
色: Clear, colourless
InChI: InChI=1S/C6H4BrF5S/c7-5-1-3-6(4-2-5)13(8,9,10,11)12/h1-4H
InChIKey: RECCABBXFXGELM-UHFFFAOYSA-N
SMILES: S(F)(F)(F)(F)(F)C1=CC=C(Br)C=C1

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H301+H311+H331 (11.1%): Toxic if swallowed, in contact with skin or if inhaled [Danger Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 9 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.