CAS 202134-57-4 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol (HCID 23527396)

基本情報

CAS: 202134-57-4
標準SMILES: OC(c1ccc(CBr)cc1)(C(F)(F)F)C(F)(F)F
InChIKey: LVLBRKWIJOFEHS-UHFFFAOYSA-N
分子式: C10H7BrF6O
平均分子量: 337.06 g/mol
単同位体質量: 335.95845

名称と識別子

優先名称: 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
IUPAC: 2-[4-(bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
英語名: 2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
分子式: C10H7BrF6O
分子量: 337.06

名称と別名

202134-57-42-(4-(Bromomethyl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol2-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-olDTXSID00634748RefChem:251846DTXCID60585500851-070-12-[4-(Bromomethyl)phenyl]hexafluoropropan-2-ol4-(Hexafluoro-2-hydroxyisopropyl)benzyl bromideMFCD09998077Benzenemethanol, 4-(bromomethyl)-alpha,alpha-bis(trifluoromethyl)-4-(HEXAFLUORO-2-HYDROXYISOPROPYL)-BENZYL BROMIDE

名称をさらに表示

4-(2-Hydroxyperfluoroprop-2-yl)benzyl bromideBenzenemethanol,4-(bromomethyl)-a,a-bis(trifluoromethyl)-Benzenemethanol, 4-(bromomethyl)-α,α-bis(trifluoromethyl)-4-(1,1,1,3,3,3-Hexafluoro-2-hydroxyprop-2-yl)]benzyl bromide, 1-(Bromomethyl)-4-[perfluoro(2-hydroxyprop-2-yl)]benzene4-(1,1,1,3,3,3-Hexafluoro-2-hydroxyprop-2-yl)]benzyl bromide, alpha,alpha-Bis(trifluoromethyl)-4-(bromomethyl)benzyl alcohol

SCHEMBL1512233CHEMBL5778101BDBM2614982-[4-(Bromomethyl)phenyl]-1,1,1,3,3,3-hexafluoro-2-propanolAKOS007930054AS-37853US9708268, 1F330832

物性

構造計算による物性

XLogP: 4
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: 2
重原子数: 18
形式電荷: 0
複雑度: 265

物理化学的性質

沸点: 300.2 · 300.2±42.0 °C(Predicted)
比重(密度): 1.69 · 1.690±0.06 g/cm3(Predicted)
酸解離定数(Pka): 9.1 · 9.10±0.15(Predicted)
外見: liquid
色: Clear, colourless

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, 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.