5-메틸-[1,3,4]옥사디아졸-2-카르복실산에틸에스테르

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

HCID 13407467

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 37641-36-4
표준 SMILES: CCOC(=O)c1nnc(C)o1
InChIKey: WSWXWCDHGTWBRW-UHFFFAOYSA-N
분자식: C6H8N2O3
평균 분자량: 156.14 g/mol
단동위원소 질량: 156.05349212

이름 및 식별자

우선 이름: Ethyl 5-methyl-1,3,4-oxadiazole-2-carboxylate
IUPAC: ethyl 5-methyl-1,3,4-oxadiazole-2-carboxylate
현지명: 5-메틸-[1,3,4]옥사디아졸-2-카르복실산에틸에스테르
영어명: 5-Methyl-[1,3,4]oxadiazole-2-carboxylic acid ethyl ester
분자식: C6H8N2O3
분자량: 156.14

이름 및 동의어

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

이름 더 보기

5-메틸-[1,3,4]옥사디아졸-2-카르복실산에틸에스테르2-carboxyethyl-5-Methyl-1,3,4-oxadiazole5-Methyl-1,3,4-oxadiazole-2-carboxylic ethyl ester

SCHEMBL3151430MBA64136SBB018899AKOS005141674AB48937SY022767TS-00084CS-0139096

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 65.2 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 3
무거운 원자 수: 11
형식 전하: 0
복잡도: 151

물리화학적 성질

녹는점: 43 · 43-45℃
끓는 점: 238 ℃ · 238℃
밀도: 1.207 · 1.207
인화점: 98 ℃ · 98℃
저장 조건: 2 · 2-8°C
산도 계수 (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

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

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

안전 데이터

HS 번호: 2934999090

화학 및 산업

공급사70 곳

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]

화합물 노트

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