エチル 5-メチル-1,3,4-オキサジアゾール-2-カルボキシレート

Ethyl 5-methyl-1,3,4-oxadiazole-2-carboxylate

HCID 13407467

ノート反応

部分構造検索類似構造を探す

基本情報

CAS: 37641-36-4
標準SMILES: CCOC(=O)c1nnc(C)o1
InChIKey: WSWXWCDHGTWBRW-UHFFFAOYSA-N
分子式: C6H8N2O3
平均分子量: 156.14 g/mol
単同位体質量: 156.05349212

名称と識別子

優先名称: Ethyl 5-methyl-1,3,4-oxadiazole-2-carboxylate
IUPAC: ethyl 5-methyl-1,3,4-oxadiazole-2-carboxylate
現地名: エチル 5-メチル-1,3,4-オキサジアゾール-2-カルボキシレート
英語名: 5-Methyl-[1,3,4]oxadiazole-2-carboxylic acid ethyl ester
分子式: C6H8N2O3
分子量: 156.14

名称と別名

Ethyl 5-methyl-1,3,4-oxadiazole-2-carboxylate37641-36-41,3,4-Oxadiazole-2-carboxylic acid, 5-methyl-, ethyl esterDTXSID80539808RefChem:595807DTXCID70490595827-149-15-METHYL-[1,3,4]OXADIAZOLE-2-CARBOXYLIC ACID ETHYL ESTERMFCD087526035-Methyl-1,3,4-Oxadiazole-2-carboxylic acid ethyl esterCRE3ZGP7GBEthyl5-Methyl-1,3,4-oxadiazole-2-carboxylate

名称をさらに表示

エチル 5-メチル-1,3,4-オキサジアゾール-2-カルボキシレート5-メチル-1,3,4-オキサジアゾール-2-カルボン酸エチル2-carboxyethyl-5-Methyl-1,3,4-oxadiazole5-Methyl-1,3,4-oxadiazole-2-carboxylic ethyl ester

SCHEMBL3151430MBA64136SBB018899AKOS005141674AB48937SY022767TS-00084CS-0139096

データベース識別子

CAS: 37641-36-4
PubChem CID: 13407467
DTXSID: DTXSID80539808
UNII: CRE3ZGP7GB
EC Number: 827-149-1
Nikkaji: J3.587.711H

物性

構造計算による物性

XLogP: 0.7
極性表面積: 65.2 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: 3
重原子数: 11
形式電荷: 0
複雑度: 151

物理化学的性質

融点: 43 · 43-45℃
沸点: 238 ℃ · 238℃
比重(密度): 1.207 · 1.207
闪点: 98 ℃ · 98℃
貯蔵温度: 2 · 2-8°C
酸解離定数(Pka): -4.1 · -4.10±0.10(Predicted)
InChI: InChI=1S/C6H8N2O3/c1-3-10-6(9)5-8-7-4(2)11-5/h3H2,1-2H3
InChIKey: WSWXWCDHGTWBRW-UHFFFAOYSA-N
SMILES: O1C(C)=NN=C1C(OCC)=O

安全と法規制

GHS分類

GHS Classification · 5 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；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, 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)

Aggregated GHS information provided per 2 reports by companies from 2 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

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

安全データ

hs_code: 2934999090

化学と産業

サプライヤー70 社

天津长江化学有限公司19129375004; 15321929114 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

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

Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]

Compound Net Biotechnology Inc.15266686121 · [email protected]

化合物ノート

読み込み中…