CAS 10199-53-8 1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid (HCID 7537619)

기본 정보

CAS: 10199-53-8
표준 SMILES: Cn1nc(C(=O)O)cc1-c1ccccc1
InChIKey: ZDUDGEACIDDEPL-UHFFFAOYSA-N
분자식: C11H10N2O2
평균 분자량: 202.21 g/mol
단동위원소 질량: 202.07422757

이름 및 식별자

우선 이름: 1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid
IUPAC: 1-methyl-5-phenylpyrazole-3-carboxylic acid
현지명: 1-메틸-5-페닐-1H-피라졸-3-카르복실산
영어명: 1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid
분자식: C11H10N2O2
분자량: 202.21

이름 및 동의어

10199-53-81-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acidDTXSID60428766RefChem:231952DTXCID803796001-methyl-5-phenylpyrazole-3-carboxylic acid1H-Pyrazole-3-carboxylic acid, 1-methyl-5-phenyl-MFCD082719331-Methyl-5-phenyl pyrazole-3-carboxylic acid1-methyl-5-phenyl-pyrazole-3-carboxylic Acid1H-Pyrazole-3-carboxylicacid, 1-methyl-5-phenyl-SCHEMBL570061

이름 더 보기

1-메틸-5-페닐-1H-피라졸-3-카르복실산1-Methyl 3-phenyl-1H-pyrazol-5-carboxylic acid1-Methyl-5-phenyl-1H-pyrazole-3-carboxylicacid97%1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid 97%1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid - [M71511]1-methyl-5-phenyl-1H-pyrazole-3-carboxylic acid(SALTDATA: FREE)3-Carboxy-1-methyl-5-phenyl-1H-pyrazole, (3-Carboxy-1-methyl-1H-pyrazol-5-yl)benzene

ZDUDGEACIDDEPL-UHFFFAOYSA-NKAA19953SBB092935AKOS000351098CS-W000419BS-14164SY128858DB-058745

데이터베이스 식별자

CAS: 10199-53-8
PubChem CID: 7537619
DTXSID: DTXSID60428766
EC Number: 981-471-8
Nikkaji: J2.562.792J

물성

구조 계산 물성

XLogP: 1.8
극성 표면적: 55.1 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 2
무거운 원자 수: 15
형식 전하: 0
복잡도: 239

물리화학적 성질

녹는점: 144 · 144-145
끓는 점: 419.6 · 419.6±33.0 °C(Predicted)
밀도: 1.24 · 1.24±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
물리적 상태: 고체
산도 계수 (pKa): 3.99 · 3.99±0.10(Predicted)
색상: 회백색

안전 및 규제

안전 데이터

HS 번호: 2933199090
risk_code: 36
safety_code: 26
위험 참고 사항: Harmful

화학 및 산업

공급사48 곳

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