CAS 2402-72-4 2-(4-Bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (HCID 23233570)

基本情報

CAS: 2402-72-4
標準SMILES: OC(c1ccc(Br)cc1)(C(F)(F)F)C(F)(F)F
InChIKey: PRQQUQLCNCIJTF-UHFFFAOYSA-N
分子式: C9H5BrF6O
平均分子量: 323.03 g/mol
単同位体質量: 321.9428

名称と識別子

優先名称: 2-(4-Bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
IUPAC: 2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
英語名: 2-(4-bromophenyl)-1,1,1,3,3,3-hexafluoro-2-propanol
分子式: C9H5BrF6O
分子量: 323.03

名称と別名

2402-72-42-(4-Bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-olRefChem:457047982-228-92-(4-bromophenyl)-1,1,1,3,3,3-hexafluoro-2-propanolMFCD03412185SCHEMBL17054Benzenemethanol, 4-bromo-alpha,alpha-bis(trifluoromethyl)-CAA402722-(4-bromophenyl)-hexafluoro-2-propanolSY045719CS-0437271

名称をさらに表示

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

EN300-170075G74849F7644134-Bromo-alpha,alpha-bis(trifluoromethyl)benzenemethanolZ17777723102-(4-bromophenyl)-1,1,1,3,3,3-hexafluoro-propan-2-ol

データベース識別子

CAS: 2402-72-4
PubChem CID: 23233570
EC Number: 982-228-9

物性

構造計算による物性

XLogP: 4.1
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: 7
回転可能結合数: 1
重原子数: 17
形式電荷: 0
複雑度: 252

物理化学的性質

沸点: 78 · 78-80 °C(Press: 6 Torr)
比重(密度): 1.735 · 1.735±0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 8.97 · 8.97±0.15(Predicted)

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, 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.