4-(クロロメチル)-2-[4-(トリフルオロメチル)フェニル]-1,3-チアゾール

4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole

HCID 2736625CAS 135873-35-7

部分構造検索類似構造を探す

基本情報

標準SMILES: FC(F)(F)c1ccc(-c2nc(CCl)cs2)cc1
InChIKey: QOWNNZROJKFRSK-UHFFFAOYSA-N
分子式: C11H7ClF3NS
平均分子量: 277.69 g/mol
単同位体質量: 276.99398256

名称と識別子

優先名称: 4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
IUPAC: 4-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
現地名: 4-(クロロメチル)-2-[4-(トリフルオロメチル)フェニル]-1,3-チアゾール
英語名: 4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
分子式: C11H7ClF3NS
分子量: 277.69

名称と別名

4-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazoleDTXSID003714894-(chloromethyl)-2-(4-(trifluoromethyl)phenyl)-1,3-thiazoleRefChem:515576DTXCID10322523978-038-0135873-35-74-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]thiazoleMFCD002772084-Chloromethyl-2-[4-(trifluoromethyl)phenyl]thiazole4-(Chloromethyl)-2-(4-(trifluoromethyl)phenyl)thiazole4-chloromethyl-2-(4-trifluoromethyl-phenyl)-thiazole

名称をさらに表示

4-(クロロメチル)-2-[4-(トリフルオロメチル)フェニル]-1,3-チアゾールChloromethyltrifluoromethylphenylthiazole4-[4-(Chloromethyl)-1,3-thiazol-2-yl]benzotrifluoride4-(CHLOROMETHYL)-2-[4-(TRIFLUOROMETHYL)PHENYL]-THIAZOLEThiazole, 4-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]-4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]thiazole95+%4-(Chloromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole 95+%

SCHEMBL2236881AKOS001372557PS-10637DB-042322EN300-27103G41721Z235344765

データベース識別子

CAS: 135873-35-7
PubChem CID: 2736625
DTXSID: DTXSID00371489
EC Number: 978-038-0

物性

構造計算による物性

XLogP: 3.9
極性表面積: 41.1 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: 17
形式電荷: 0
複雑度: 254

物理化学的性質

融点: 80 °C · 80 °C
沸点: 345.7 · 345.7±52.0 °C(Predicted)
比重(密度): 1.398 · 1.398±0.06 g/cm3(Predicted)
酸解離定数(Pka): 0 · -0+-.0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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.