CAS 5932-30-9 1H-Pyrazole-3-carboxylic acid, 5-phenyl-, ethyl ester (HCID 138628)

기본 정보

CAS: 5932-30-9
표준 SMILES: CCOC(=O)c1cc(-c2ccccc2)n[nH]1
InChIKey: AZZHJDRWBMQEKD-UHFFFAOYSA-N
분자식: C12H12N2O2
평균 분자량: 216.24 g/mol
단동위원소 질량: 216.08987763

이름 및 식별자

우선 이름: 1H-Pyrazole-3-carboxylic acid, 5-phenyl-, ethyl ester
IUPAC: ethyl 3-phenyl-1H-pyrazole-5-carboxylate
현지명: 5-페닐-피라졸-3-카르복실산에틸에스테르
영어명: 5-PHENYL-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER
분자식: C12H12N2O2
분자량: 216.24

이름 및 동의어

5932-30-93(5)-phenyl-5(3)-ethoxycarbonylpyrazole1H-Pyrazole-3-carboxylic acid, 5-phenyl-, ethyl esterDTXSID30208057RefChem:1058495DTXCID50130548Ethyl 3-phenyl-1H-pyrazole-5-carboxylateethyl 5-phenyl-1H-pyrazole-3-carboxylate13599-12-75-Phenyl-2H-pyrazole-3-carboxylic acid ethyl ester5-PHENYL-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTERethyl 3-phenylpyrazole-5-carboxylate

이름 더 보기

5-페닐-피라졸-3-카르복실산에틸에스테르3-Ethoxycarbonyl-5-phenylpyrazole5-phenypyrazole-3-ethyl carboxylateethyl 5-phenyl-2H-pyrazole-3-carboxylateEthyl 5-phenyl-pyrazole-3-carboxylic acid5-Phenyl-4H-pyrazole-3-carboxylic acid ethyl ester

MFCD02130942Ethyl 5-phenylpyrazole-3-carboxylateMFCD03130041CHEMBL17080275-PHENYL-1H-PYRAZOLE-3-CARBOXYLIC ACID ETHYL ESTER1H-pyrazole-5-carboxylic acid, 3-phenyl-, ethyl esterSCHEMBL69842MLS000332649

데이터베이스 식별자

CAS: 5932-30-9
PubChem CID: 138628
DTXSID: DTXSID30208057
ChEMBL: CHEMBL1708027
Nikkaji: J337.010K、J479.016B

물성

구조 계산 물성

XLogP: 2.4
극성 표면적: 55 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 16
형식 전하: 0
복잡도: 239

실험 및 물리화학적 성질

Solubility10.7 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 140 · 140-141.5℃
끓는 점: 427.9 · 427.9±33.0 °C(Predicted)
밀도: 1.196 · 1.196±0.06 g/cm3 (20 ºC 760 Torr)
저장 조건: 2 · 2-8°C
산도 계수 (pKa): 10.56 · 10.56±0.10(Predicted)

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

공급사75 곳

上海康恩博医药科技有限公司17510465506 · [email protected]

济南药德生物科技有限公司17805033575; 17805033575 · [email protected]

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

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

南京翔睿科技有限公司021-021-00000000 15715199582

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