4-(Trifluoromethyl)cyclohexan-1-ol

HCID 2779765CAS 30129-18-1

基本情報

標準SMILES: OC1CCC(C(F)(F)F)CC1
InChIKey: VJUJYNJEPPWWHS-UHFFFAOYSA-N
分子式: C7H11F3O
平均分子量: 168.16 g/mol
単同位体質量: 168.07619963

名称と識別子

優先名称: 4-(Trifluoromethyl)cyclohexan-1-ol
IUPAC: 4-(trifluoromethyl)cyclohexan-1-ol
英語名: cis-4-(Trifluoromethyl)cyclohexanol
分子式: C7H11F3O
分子量: 168.16

名称と別名

30129-18-14-(trifluoromethyl)cyclohexan-1-olDTXSID30952548RefChem:517149DTXCID001380633671-735-84-(trifluoromethyl)cyclohexanolTRANS-4-(TRIFLUOROMETHYL)CYCLOHEXANOL75091-93-975091-92-8CIS-4-(TRIFLUOROMETHYL)CYCLOHEXANOLMFCD00102144

名称をさらに表示

cis-4-(Trifluoromethyl)cyclohexan-1-olCyclohexanol, 4-(trifluoroMethyl)-, cis-

MFCD12964322C7H11F3O4-(Trifluoromethyl)cyclohexanol, cis/trans(1S,4S)-4-(TRIFLUOROMETHYL)CYCLOHEXAN-1-OL4-TrifluoromethylcyclohexanolSCHEMBL602272AKOS005256067(1s,4s)-4-(Trifluoromethyl)cyclohexanol

データベース識別子

CAS: 30129-18-1、75091-92-8
PubChem CID: 2779765
DTXSID: DTXSID30952548
EC Number: 671-735-8、885-277-3

物性

構造計算による物性

XLogP: 2.4
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: 4
回転可能結合数: 0
重原子数: 11
形式電荷: 0
複雑度: 124

物理化学的性質

沸点: 160.4 · 160.4±35.0 °C(Predicted)
比重(密度): 1.231 · 1.231±0.06 g/cm3(Predicted)
貯蔵温度: Store at Room Tem.
酸解離定数(Pka): 14.88 · 14.88±0.40(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (80%): 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)

Aggregated GHS information provided per 25 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.