3-メチルイソオキサゾール-4-カルボン酸エチル

Ethyl 3-methyl-1,2-oxazole-4-carboxylate

HCID 317668CAS 20328-15-8

部分構造検索類似構造を探す

基本情報

標準SMILES: CCOC(=O)c1conc1C
InChIKey: AEWHICNMVQOWJE-UHFFFAOYSA-N
分子式: C7H9NO3
平均分子量: 155.15 g/mol
単同位体質量: 155.05824315

名称と識別子

優先名称: Ethyl 3-methyl-1,2-oxazole-4-carboxylate
IUPAC: ethyl 3-methyl-1,2-oxazole-4-carboxylate
現地名: 3-メチルイソオキサゾール-4-カルボン酸エチル
英語名: Ethyl 3-methylisoxazole-4-carboxylate
分子式: C7H9NO3
分子量: 155.15

名称と別名

ethyl 3-methyl-1,2-oxazole-4-carboxylateDTXSID10312161RefChem:595009DTXCID10263285991-905-820328-15-8ethyl 3-methylisoxazole-4-carboxylateETHYL 3-METHYL-ISOXAZOLE-4-CARBOXYLATE4-Isoxazolecarboxylic acid, 3-methyl-, ethyl esterMFCD010757363-METHYLISOXAZOLE-4-CARBOXYLIC ACID ETHYL ESTERETHYL3-METHYLISOXAZOLE-4-CARBOXYLATE

名称をさらに表示

3-メチルイソオキサゾール-4-カルボン酸エチル3-メチルイソオキサゾール-4-カルボン酸エチル, 97%Leflunomide Impurity 93-methyl-4-isoxazolecarboxylic acid ethyl ester4-Isoxazolecarboxylicacid,3-methyl-,ethylester(8CI,9CI)Ethyl 3-methylisoxazole-4-carboxylateQ: What is Ethyl 3-methylisoxazole-4-carboxylate Q: What is the CAS Number of Ethyl 3-methylisoxazole-4-carboxylate Q: What is the storage condition of Ethyl 3-methylisoxazole-4-carboxylate Q: What are the applications of Ethyl 3-methylisoxazole-4-carboxylate

NSC-250960NSC2509607VJ8CD6HCHSCHEMBL1639502SCHEMBL5410864AEWHICNMVQOWJE-UHFFFAOYSA-Nethyl 3-methyl-4-isoxazolecarboxylateAKOS005207241

データベース識別子

CAS: 20328-15-8
PubChem CID: 317668
DTXSID: DTXSID10312161
UNII: 7VJ8CD6HCH
EC Number: 991-905-8

物性

構造計算による物性

XLogP: 1
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: 11
形式電荷: 0
複雑度: 149

物理化学的性質

沸点: 64 °C · 64°C 0,6mm
比重(密度): 1.139 · 1.139±0.06 g/cm3(Predicted)
屈折率: 1.459 · 1.4590
闪点: 64 °C/0.6mm · 64°C/0.6mm
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): -3.24 · -3.24±0.50(Predicted)
BRN: 1072756 · 1072756

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

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, 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)

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 CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2934999090
safety_code: 24/25

化学と産業

応用分野

使用3-Methylisoxazole-4-carboxylic Acid Ethyl Ester is an impurity in Leflunomide (L322750); an immunosuppressive that inhibits T and B cell proliferation.

上流・下流製品情報

下流製品

3-メチル-4-イソオキサゾールカルボン酸

サプライヤー35 社

济南百隆化学有限公司[email protected] · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

阿法埃莎（中国）化学有限公司400-6106006 · [email protected]