2-Hydroxy-1-[4-(trifluoromethyl)phenyl]ethan-1-one

HCID 11287169

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基本情報

CAS: 89630-28-4
標準SMILES: O=C(CO)c1ccc(C(F)(F)F)cc1
InChIKey: HVNDDPHQGGNGQI-UHFFFAOYSA-N
分子式: C9H7F3O2
平均分子量: 204.15 g/mol
単同位体質量: 204.03981412

名称と識別子

優先名称: 2-Hydroxy-1-[4-(trifluoromethyl)phenyl]ethan-1-one
IUPAC: 2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethanone
英語名: 2-Hydroxy-4’-(trifluoromethyl)acetophenone
分子式: C9H7F3O2
分子量: 204.15

名称と別名

2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethan-1-one2-hydroxy-1-(4-(trifluoromethyl)phenyl)ethan-1-oneRefChem:473012836-933-289630-28-42-hydroxy-1-(4-(trifluoromethyl)phenyl)ethanoneEthanone, 2-hydroxy-1-[4-(trifluoromethyl)phenyl]-2-hydroxy-1-[4-(trifluoromethyl)phenyl]ethanone2-Hydroxy-4'-(trifluoromethyl)acetophenoneMFCD166164732-HYDROXY-4-(TRIFLUOROMETHYL)ACETOPHENONESCHEMBL1360049

名称をさらに表示

DTXSID30461226PDA63028AC7158AKOS0175493902-Hydroxy-4'-trifluoromethylacetophenone2-hydroxy-4'-trifluoromethyl acetophenoneSY130971EN300-192056

データベース識別子

CAS: 89630-28-4
PubChem CID: 11287169
DTXSID: DTXSID30461226
EC Number: 836-933-2
Nikkaji: J3.225.206K

物性

構造計算による物性

XLogP: 1.8
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: 5
回転可能結合数: 2
重原子数: 14
形式電荷: 0
複雑度: 205

物理化学的性質

沸点: 269.1 · 269.1±40.0 °C(Predicted)
比重(密度): 1.343 · 1.343±0.06 g/cm3(Predicted)
酸解離定数(Pka): 12.53 · 12.53±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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.