CAS 76911-73-4 1-(4-Bromophenyl)-2,2,2-trifluoroethanol (HCID 11219024)

基本情報

CAS: 76911-73-4
標準SMILES: OC(c1ccc(Br)cc1)C(F)(F)F
InChIKey: PHWPRSZULISLMK-UHFFFAOYSA-N
分子式: C8H6BrF3O
平均分子量: 255.03 g/mol
単同位体質量: 253.95541157

名称と識別子

優先名称: 1-(4-Bromophenyl)-2,2,2-trifluoroethanol
IUPAC: 1-(4-bromophenyl)-2,2,2-trifluoroethanol
英語名: 1-(4-broMophenyl)-2,2,2-trifluoroethanol
分子式: C8H6BrF3O
分子量: 255.03

名称と別名

1-(4-bromophenyl)-2,2,2-trifluoroethanol1-(4-bromophenyl)-2,2,2-trifluoroethan-1-olEPP42RS7K8DTXSID00459155Benzenemethanol, 4-bromo-alpha-(trifluoromethyl)-4-bromo-alpha-(trifluoromethyl)benzenemethanol4-BROMO-.ALPHA.-(TRIFLUOROMETHYL)BENZENEMETHANOLBENZENEMETHANOL, 4-BROMO-.ALPHA.-(TRIFLUOROMETHYL)-RefChem:196949DTXCID60409974832-721-976911-73-4

名称をさらに表示

4-Bromo-α-(trifluoromethyl)benzenemethanolBenzenemethanol, 4-bromo-α-(trifluoromethyl)-

MFCD127868014-Bromo-alpha-(trifluoromethyl)benzyl Alcohol(alphaS)-4-Bromo-alpha-(trifluoromethyl)benzenemethanol2,2,2-trifluoro-1-(4-bromophenyl)ethanol1-(4-bromophenyl)-2,2,2-trifluoro-ethanol1-(4-bromo-phenyl)-2,2,2-trifluoro-ethanolSCHEMBL11685BDA91173

データベース識別子

CAS: 76911-73-4
PubChem CID: 11219024
DTXSID: DTXSID00459155
UNII: EPP42RS7K8
EC Number: 832-721-9
Nikkaji: J2.536.080J

物性

構造計算による物性

XLogP: 2.9
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: 4
回転可能結合数: 1
重原子数: 13
形式電荷: 0
複雑度: 163

物理化学的性質

融点: 50 · 50-52 °C
沸点: 282.8 · 282.8±40.0 °C(Predicted)
比重(密度): 1.665 · 1.665±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
外見: solid
酸解離定数(Pka): 11.68 · 11.68±0.10(Predicted)
色: Off-white to light yellow

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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.