alpha-(4-Fluorophenyl)-4-(trifluoromethyl)benzenemethanol

HCID 579773CAS 39768-86-0

基本情報

標準SMILES: OC(c1ccc(F)cc1)c1ccc(C(F)(F)F)cc1
InChIKey: XYMORTGEMACCDO-UHFFFAOYSA-N
分子式: C14H10F4O
平均分子量: 270.22 g/mol
単同位体質量: 270.06677782

名称と識別子

優先名称: alpha-(4-Fluorophenyl)-4-(trifluoromethyl)benzenemethanol
IUPAC: (4-fluorophenyl)-[4-(trifluoromethyl)phenyl]methanol

名称と別名

39768-86-0alpha-(4-Fluorophenyl)-4-(trifluoromethyl)benzenemethanolDTXSID8012153174-FLUORO-4'-(TRIFLUOROMETHYL)BENZHYDROLRefChem:555261DTXCID501646660668-020-8(4-Fluorophenyl)[4-(trifluoromethyl)phenyl]methanol4'Trifluoromethylphenyl-4-fluorobenzhydrolSCHEMBL1350356MFCD00034183AKOS010332917

名称をさらに表示

(4-Fluorophenyl) [4-(trifluoromethyl)phenyl]methanol(4-Fluorophenyl)[4-(trifluoromethyl)phenyl]methanol #a-(4-Fluorophenyl)-4-(trifluoromethyl)benzenemethanol|A-(4-Fluorophenyl)-4-(trifluoromethyl)benzenemethanolI+/--(4-Fluorophenyl)-4-(trifluoromethyl)benzenemethanolBenzenemethanol, alpha-(4-fluorophenyl)-4-(trifluoromethyl)-

データベース識別子

CAS: 39768-86-0
PubChem CID: 579773
DTXSID: DTXSID801215317
EC Number: 668-020-8

物性

構造計算による物性

XLogP: 3.7
極性表面積: 20.2 Å²
水素結合供与体数: 1
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 19
形式電荷: 0
複雑度: 276

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.