Ethyl 2,4-dimethyl-1,3-oxazole-5-carboxylate

HCID 315151

ノート反応

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基本情報

CAS: 23012-30-8
標準SMILES: CCOC(=O)c1oc(C)nc1C
InChIKey: WCUUOYNIEQTQIO-UHFFFAOYSA-N
分子式: C8H11NO3
平均分子量: 169.18 g/mol
単同位体質量: 169.07389321

名称と識別子

優先名称: Ethyl 2,4-dimethyl-1,3-oxazole-5-carboxylate
IUPAC: ethyl 2,4-dimethyl-1,3-oxazole-5-carboxylate
英語名: ETHYL 2,4-DIMETHYLOXAZOLE-5-CARBOXYLATE
分子式: C8H11NO3
分子量: 169.18

名称と別名

ethyl 2,4-dimethyl-1,3-oxazole-5-carboxylateRefChem:593474844-371-4ethyl 2,4-dimethyloxazole-5-carboxylate23012-30-85-Oxazolecarboxylic acid, 2,4-dimethyl-, ethyl esterMFCD06254441NSC238862ETHYL2,4-DIMETHYLOXAZOLE-5-CARBOXYLATESCHEMBL3274432DTXSID80311141WCUUOYNIEQTQIO-UHFFFAOYSA-N

名称をさらに表示

AKOS A0602-0415OTAVA-BB 71185607982,4-DIMETHYLOXAZOLE-5-CARBOXYLATEEthyl 2,4-dimethyl-5-Oxazolecarboxylic acid2,4-dimethyloxazole-5-carboxylic acid ethyl ester2,4-dimethyl-5-oxazolecarboxylic acid ethyl ester

ALBB-030048STL388002AKOS000320124NSC 238862NSC-238862CS-10486Ethyl 2,4-dimethyl-oxazole-5-carboxylateoxazole, 5-ethoxycarbonyl-2,4-dimethyl-

データベース識別子

CAS: 23012-30-8
PubChem CID: 315151
DTXSID: DTXSID80311141
EC Number: 844-371-4
Nikkaji: J988.201D

物性

構造計算による物性

XLogP: 1.7
極性表面積: 52.3 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: 3
重原子数: 12
形式電荷: 0
複雑度: 172

物理化学的性質

融点: 55 · 55-56 °C
沸点: 98 · 98-103 °C(Press: 4 Torr)
比重(密度): 1 · 1+-.0.06 g/cm3(Predicted)
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): 0.26 · 0.26±0.10(Predicted)

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P271, P280, P301+P317, 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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 5 (100%)

安全データ

hs_code: 2934999090

化学と産業

サプライヤー36 社

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

苏州启航生物科技有限公司18151111370 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]

Aladdin Scientific[email protected]

化合物ノート

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