에틸1,5-디메틸-1H-피라졸-3-카르복실레이트

1,5-Dimethyl-3-ethoxycarbonylpyrazole

HCID 138577CAS 5744-51-4

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CCOC(=O)c1cc(C)n(C)n1
InChIKey: OJPXVXXMBWKEAT-UHFFFAOYSA-N
분자식: C8H12N2O2
평균 분자량: 168.19 g/mol
단동위원소 질량: 168.08987762

이름 및 식별자

우선 이름: 1,5-Dimethyl-3-ethoxycarbonylpyrazole
IUPAC: ethyl 1,5-dimethylpyrazole-3-carboxylate
현지명: 에틸1,5-디메틸-1H-피라졸-3-카르복실레이트
영어명: Ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate
분자식: C8H12N2O2
분자량: 168.19

이름 및 동의어

ethyl 1,5-dimethyl-1H-pyrazole-3-carboxylate5744-51-41,5-dimethyl-3-ethoxycarbonylpyrazoleDTXSID50206055RefChem:417270DTXCID50128546660-934-5ethyl 1,5-dimethylpyrazole-3-carboxylateMFCD000850711H-Pyrazole-3-carboxylic acid, 1,5-dimethyl-, ethyl ester1,5-Dimethyl-1H-pyrazole-3-carboxylic acid ethyl esterethyl1,5-dimethyl-1H-pyrazole-3-carboxylate

이름 더 보기

에틸1,5-디메틸-1H-피라졸-3-카르복실레이트AKOS B0066841,5-DimethyLAKOS PAO-0796BUTTPARK 90\11-93VITAS-BB TBB000644ART-CHEM-BB B006684Ethyl 1,5-diMethyl-1H-pyr...Ethyl1,5-Dimethylpyrazole-3-carboxylate>

Maybridge1_0088901,5-dimethylpyrazole-3-carboxylic acid ethyl esterorb2940209SCHEMBL1233517HMS566M02OJPXVXXMBWKEAT-UHFFFAOYSA-NALBB-014300BBL008588

데이터베이스 식별자

CAS: 5744-51-4
PubChem CID: 138577
DTXSID: DTXSID50206055
EC Number: 660-934-5
Nikkaji: J479.013H

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 44.1 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 12
형식 전하: 0
복잡도: 172

물리화학적 성질

녹는점: 39 · 39-41°C
끓는 점: 154 °C · 154°C 10mm
밀도: 1.12 · 1.12±0.1 g/cm3 (20 ºC 760 Torr)
인화점: 110.3 · 110.3±21.8℃
저장 조건: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
물리적 상태: powder to crystal
산도 계수 (pKa): 0.54 · 0.54±0.10(Predicted)
색상: Light orange to Yellow to Green
InChI: InChI=1S/C8H12N2O2/c1-4-12-8(11)7-5-6(2)10(3)9-7/h5H,4H2,1-3H3
InChIKey: OJPXVXXMBWKEAT-UHFFFAOYSA-N
SMILES: N1(C)C(C)=CC(C(OCC)=O)=N1

화학적 성질

White to light yellow solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

안전 데이터

wgk: 3
HS 번호: 29331990
risk_code: 36/37/38-22
hazard_code: Xi,Xn
safety_code: 26-36/37/39
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

상·하류 제품 정보

상류 원료

하류 제품

3-이소티오시아나토-1,5-디메틸-1H-피라졸 2-(1,5-Dimethyl-1H-pyrazol-3-yl)acetic acid ,97%1,5-Dimethyl-1H-pyrazole-3-carbonitrile ,97%N,1,5-Trimethyl-1H-pyrazole-3-carboxamide ,97%3-Isocyanato-1,5-dimethyl-1H-pyrazole N-[(1,5-디메틸-1H-피라졸-3-일)메틸]-N-메틸아민 1,5-Dimethyl-1 H-pyrazol-3-ylamine 2-(1,5-Dimethyl-1H-pyrazol-3-yl)acetonitrile ,97%(1,5-디메틸-1H-피라졸-3-일)메틸아민 1,5-Dimethyl-1H-pyrazole-3-carboxamide ,97%3-Bromo-1,5-dimethyl-1H-pyrazole (1,5-DIMETHYL-1H-PYRAZOL-3-YL)메탄올

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

杭州鸿喜生物医药科技有限公司18989489206 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

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