CAS 36716-69-5 4-(4-Fluorophenyl)-4-hydroxycyclohexan-1-one (HCID 22395364)

基本情報

CAS: 36716-69-5
標準SMILES: O=C1CCC(O)(c2ccc(F)cc2)CC1
InChIKey: JFJXHTCDSDMHPT-UHFFFAOYSA-N
分子式: C12H13FO2
平均分子量: 208.23 g/mol

名称と識別子

優先名称: 4-(4-Fluorophenyl)-4-hydroxycyclohexan-1-one
IUPAC: 4-(4-fluorophenyl)-4-hydroxycyclohexan-1-one
英語名: 4-(4-Fluorophenyl)-4-hydroxycyclohexanone
分子式: C12H13FO2
分子量: 208.23

名称と別名

4-(4-fluorophenyl)-4-hydroxycyclohexan-1-one36716-69-54-(4-fluorophenyl)-4-hydroxycyclohexanoneSCHEMBL613615JFJXHTCDSDMHPT-UHFFFAOYSA-NLBA71669MFCD21321193AKOS0152576474-(p-fluorophenyl)-4-hydroxycyclohexanone4-hydroxy-4-(4-fluorophenyl)cyclohexanone4-(4-fluorophenyl)-4-hydroxy-cyclohexanone4-hydroxy-4-(p-fluorophenyl)-cyclohexanone

名称をさらに表示

Cyclohexanone, 4-(4-fluorophenyl)-4-hydroxy-

DB-112819CS-02491964-(4-fluoro-phenyl)-4-hydroxy-cyclohexanoneH68848EN300-4273838

データベース識別子

CAS: 36716-69-5
PubChem CID: 22395364
EC Number: 177-116-4

物性

構造計算による物性

XLogP: 1.2
極性表面積: 37.3 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 15
形式電荷: 0
複雑度: 234

物理化学的性質

沸点: 345 · 345.0±42.0 °C(Predicted)
比重(密度): 1.248 · 1.248±0.06 g/cm3(Predicted)
酸解離定数(Pka): 13.74 · 13.74±0.20(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, 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.