Ethyl 2-(4-methyl-1,3-thiazol-2-yl)acetate

HCID 574575CAS 51221-43-3

基本情報

標準SMILES: CCOC(=O)Cc1nc(C)cs1
InChIKey: QFXRMMDXBTYQKG-UHFFFAOYSA-N
分子式: C8H11NO2S
平均分子量: 185.25 g/mol
単同位体質量: 185.05104959

名称と識別子

優先名称: Ethyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
IUPAC: ethyl 2-(4-methyl-1,3-thiazol-2-yl)acetate
英語名: (4-Methyl-thiazol-2-yl)-acetic acid ethyl ester
分子式: C8H11NO2S
分子量: 185.24

名称と別名

ethyl 2-(4-methyl-1,3-thiazol-2-yl)acetateRefChem:593884822-799-251221-43-3Ethyl 2-(4-methylthiazol-2-yl)acetate(4-METHYL-THIAZOL-2-YL)-ACETIC ACID ETHYL ESTEREthyl (4-methyl-1,3-thiazol-2-yl)acetateMFCD01819872Ethyl 2-(4-Methyl-2-thiazolyl)acetateEthyl2-(4-methylthiazol-2-yl)acetate(4-methyl-thiazol-2-yl)acetic acid ethyl esterTimTec1_005773

名称をさらに表示

2-Thiazoleacetic acid, 4-methyl-, ethyl ester2-(4-methyl-2-thiazolyl)acetic acid ethyl ester

SCHEMBL696137DTXSID30341630HMS1550G09STK675640AKOS001107457AB09946NCGC00173525-01BS-13595

データベース識別子

CAS: 51221-43-3
PubChem CID: 574575
DTXSID: DTXSID30341630
EC Number: 822-799-2
Nikkaji: J2.555.647J

物性

構造計算による物性

XLogP: 1.5
極性表面積: 67.4 Å²
水素結合供与体数: 0
水素結合受容体数: 4
回転可能結合数: 4
重原子数: 12
形式電荷: 0
複雑度: 163

物理化学的性質

貯蔵温度: 2 · 2-8°C

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

hs_code: 2934100090

化学と産業

応用分野

使用(4-Methyl-thiazol-2-yl)acetic Acid Ethyl Ester is used as a reactant in the synthesis of polyfluoroalkylated pyrones, pyridones, and pyridobenzazoles.

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