4-メチルオキサゾール-5-カルボン酸エチル

Ethyl 4-methyloxazole-5-carboxylate

HCID 88558CAS 20485-39-6

部分構造検索類似構造を探す

基本情報

標準SMILES: CCOC(=O)c1ocnc1C
InChIKey: XNMORZSEENWFLI-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 4-methyloxazole-5-carboxylate
IUPAC: ethyl 4-methyl-1,3-oxazole-5-carboxylate
現地名: 4-メチルオキサゾール-5-カルボン酸エチル
英語名: Ethyl 4-methyl-1,3-oxazole-5-carboxylate
分子式: C7H9NO3
分子量: 155.15

名称と別名

Ethyl 4-methyloxazole-5-carboxylate20485-39-65-Oxazolecarboxylic acid, 4-methyl-, ethyl ester4-Methyl-oxazole-5-carboxylic acid ethyl esterIKW37IL2S5EINECS 243-848-9EC 243-848-9DTXSID40174451RefChem:595474DTXCID4096942243-848-9Ethyl 4-methyl-1,3-oxazole-5-carboxylate

名称をさらに表示

4-メチルオキサゾール-5-カルボン酸エチルエチル 4-メチル-1,3-オキサゾール-5-カルボキシラート4-methyl-1,3-oxazole-5-carboxylate5-(Ethoxycarbonyl)-4-methyl-1,3-oxazoleEthyl 4-Methyloxazole-5-carboxylate, 97+%

ethyl4-methyloxazole-5-carboxylate4-methyloxazole-5-carboxylic acid ethyl esterMFCD00062573UNII-IKW37IL2S54-methyl-5-oxazolecarboxylic acid ethyl ester5-Ethoxycarbonyl-4-methyloxazole4-Methyl-oxazole-5-carbox4-methyl-5-carbethoxyoxazole

データベース識別子

CAS: 20485-39-6
PubChem CID: 88558
DTXSID: DTXSID40174451
UNII: IKW37IL2S5
EC Number: 243-848-9
Nikkaji: J280.605C

物性

構造計算による物性

XLogP: 1.3
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

融点: 38 °C · 38 °C
沸点: 62 °C/1.5mmHg · 62°C/1.5mmHg(lit.)
比重(密度): 1.139 · 1.139±0.06 g/cm3(Predicted)
屈折率: 1.468 to · 1.4680 to 1.4720
貯蔵温度: 2 · 2-8°C
外見: clear liquid
酸解離定数(Pka): -0.8 · -0.80±0.14(Predicted)
色: Colorless to Light orange to Yellow
CAS データベース: 20485 · 20485-39-6

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (66.7%): 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)

Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

危険有害性情報

Regulatory InformationStatus: Active Update: 06-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29748

Hazard Classes and CategoriesSkin Irrit. 2 (66.7%)；Eye Irrit. 2A (100%)；STOT SE 3 (66.7%)

法規制情報

Regulatory InformationStatus: Active Update: 06-09-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/29748

安全データ

hs_code: 2934999090
消防法: 危-4-3-III
hazard_code: Xi
hazard_note: Irritant

化学と産業

上流・下流製品情報

上流原料

炭酸カリウム 2-クロロアセト酢酸エチルホルムアミドベンゼン

サプライヤー50 社

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

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

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

Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]

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