CAS 773136-70-2 Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate (HCID 45082645)

기본 정보

CAS: 773136-70-2
표준 SMILES: COC(=O)c1c(C)c(C)nn1C
InChIKey: OCUDOHHJNZEDML-UHFFFAOYSA-N
분자식: C8H12N2O2
평균 분자량: 168.19 g/mol
단동위원소 질량: 168.08987763

이름 및 식별자

우선 이름: Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate
IUPAC: methyl 2,4,5-trimethylpyrazole-3-carboxylate
현지명: 1H-피라졸-5-카르복실산,1,3,4-트리메틸-,메틸에스테르(9CI)
영어명: 1H-Pyrazole-5-carboxylicacid,1,3,4-trimethyl-,methylester(9CI)
분자식: C8H12N2O2
분자량: 168.19

이름 및 동의어

Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate773136-70-2METHYL 2,4,5-TRIMETHYLPYRAZOLE-3-CARBOXYLATEMFCD166609801H-Pyrazole-5-carboxylicacid,1,3,4-trimethyl-,methylester(9CI)1H-Pyrazole-5-carboxylic acid, 1,3,4-trimethyl-, methyl esterSCHEMBL729060DTXSID80665313OCUDOHHJNZEDML-UHFFFAOYSA-N1,3,4-Trimethyl-1H-pyrazole-5-carboxylic acid methyl esterALBB-032768AKOS015998840

이름 더 보기

1H-피라졸-5-카르복실산,1,3,4-트리메틸-,메틸에스테르(9CI)

FS-3486SY110738DB-075293F209488Methyl 1,3,4-trimethylpyrazole-5-carboxylic acidMethyl1,3,4-trimethyl-1H-pyrazole-5-carboxylate1,3,4-trimethylpyrazol-5-carboxylic acid methyl ester

데이터베이스 식별자

CAS: 773136-70-2
PubChem CID: 45082645
DTXSID: DTXSID80665313
Nikkaji: J2.403.112H

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: 2
무거운 원자 수: 12
형식 전하: 0
복잡도: 184

물리화학적 성질

끓는 점: 256 ℃ · 256℃
밀도: 1.13 · 1.13
인화점: 109 ℃ · 109℃
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 1.5 · 1.50±0.10(Predicted)

화학적 성질

Colorless to pale yellow viscous liquid

안전 및 규제

안전 데이터

HS 번호: 2933199090

화학 및 산업

응용 분야

용도Methyl 1,3,4-trimethyl-1H-pyrazole-5-carboxylate is use in the preparation of 3-(1,3,4-trimethylpyrazol-5-yl)acrylonitrile derivatives.

공급사29 곳

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

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

上海腾准生物科技有限公司19821570922 · [email protected]

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

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

화합물 노트

불러오는 중…