5-(クロロメチル)-4-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

5-Chloromethyl-4-methyl-2-(4-trifluoromethyl-phenyl)-thiazole

HCID 2783006

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 317318-97-1
標準SMILES: Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CCl
InChIKey: JQVJAQPUFIIRJP-UHFFFAOYSA-N
分子式: C12H9ClF3NS
平均分子量: 291.72 g/mol
単同位体質量: 291.00963263

名称と識別子

優先名称: 5-Chloromethyl-4-methyl-2-(4-trifluoromethyl-phenyl)-thiazole
IUPAC: 5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
現地名: 5-(クロロメチル)-4-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: Thiazole,5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-
分子式: C12H9ClF3NS
分子量: 291.72

名称と別名

5-Chloromethyl-4-methyl-2-(4-trifluoromethyl-phenyl)-thiazoleRefChem:534971692-191-8317318-97-15-(chloromethyl)-4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazoleMFCD037911735-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole5-chloromethyl-4-methyl-2-(4-trifluoromethylphenyl)thiazoleC12H9ClF3NS5-(Chloromethyl)-4-methyl-2-[4-(trifluoromethyl)-phenyl]-1,3-thiazole5-(Chloromethyl)-4-methyl-2-(4-trifluoromethylphenyl)-1,3-thiazole;

名称をさらに表示

5-(クロロメチル)-4-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5-クロロメチル-4-メチル-2-(4-トリフルオロメチルフェニル)チアゾールChloroMethylthiazole5-(Chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-...Thiazole,5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-

4-[5-(Chloromethyl)-4-methyl-1,3-thiazol-2-yl]benzotrifluorideThiazole, 5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-SCHEMBL977726DTXSID60382399SBB054931AKOS005070102AC-28805SY025634

データベース識別子

CAS: 317318-97-1
PubChem CID: 2783006
DTXSID: DTXSID60382399
EC Number: 692-191-8
Nikkaji: J2.054.789H

物性

構造計算による物性

XLogP: 4.3
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: 18
形式電荷: 0
複雑度: 279

物理化学的性質

融点: 60 · 60-62°
沸点: 363.5 · 363.5±52.0 °C(Predicted)
比重(密度): 1.357 · 1.357±0.06 g/cm3(Predicted)
貯蔵温度: 2 · under inert gas (nitrogen or Argon) at 2-8°C
溶解性: クロロホルム、メタノール
外見: 個体
酸解離定数(Pka): 1.62 · 1.62±0.10(Predicted)
色: 黄色

化学的性質

化学的特性Yellow Solid

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)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

安全データ

hs_code: 2934100090
hazard_class: IRRITANT

化学と産業

応用分野

使用Intermediate in the production of GW 501516 and its derivatives

上流・下流製品情報

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

河南多贝化工有限公司0370-6999054 17550096163 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

化合物ノート

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