5-クロロ-1-フェニル-3-(トリフルオロメチル)-1H-ピラゾール-4-カルブアルデヒド

5-chloro-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde

HCID 1479052

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 318288-78-7
標準SMILES: O=Cc1c(C(F)(F)F)nn(-c2ccccc2)c1Cl
InChIKey: OPWVMJDFQNRXIG-UHFFFAOYSA-N
分子式: C11H6ClF3N2O
平均分子量: 274.62 g/mol
単同位体質量: 274.012075

名称と識別子

優先名称: 5-chloro-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
IUPAC: 5-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde
現地名: 5-クロロ-1-フェニル-3-(トリフルオロメチル)-1H-ピラゾール-4-カルブアルデヒド
英語名: 3-trifluoromethyl-1-phenyl-1H-5-chloropyrazole-4-carbaldehyde
分子式: C11H6ClF3N2O
分子量: 274.63

名称と別名

318288-78-75-chloro-1-phenyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde5-chloro-1-phenyl-3-(trifluoromethyl)pyrazole-4-carbaldehydeMFCD007938663-trifluoromethyl-1-phenyl-1H-5-chloropyrazole-4-carbaldehydeSCHEMBL33815545-Chloro-1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carbaldehyde5-chloro-1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carboaldehyde5-CHLORO-4-FORMYL-1-PHENYL-3-(TRIFLUOROMETHYL)PYRAZOLESBB025335STK352279AKOS005094829

名称をさらに表示

5-クロロ-1-フェニル-3-(トリフルオロメチル)-1H-ピラゾール-4-カルブアルデヒド5-chloro-3-(trifluoromethyl)-1-phenyl-1H-pyrazole-4-carbaldehyde1H-Pyrazole-4-carboxaldehyde, 5-chloro-1-phenyl-3-(trifluoroMethyl)-

CS-00605495H-904EN300-155212W18789F065291Z3815558945-chloro-1-phenyl-3-trifluoromethyl-1H-pyrazole-4carboaldehyde5-chloro1-phenyl-3-trifluoromethyl-1H-pyrazole-4-carboaldehyde

データベース識別子

CAS: 318288-78-7
PubChem CID: 1479052
EC Number: 139-854-5

物性

構造計算による物性

XLogP: 3.2
極性表面積: 34.9 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 2
重原子数: 18
形式電荷: 0
複雑度: 307

物理化学的性質

沸点: 338.6 · 338.6±42.0 °C(Predicted)
比重(密度): 1.45 · 1.45±0.1 g/cm3(Predicted)
酸解離定数(Pka): -7.76 · -7.76±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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.