기본 정보
- CAS
63400-64-6- 표준 SMILES
Nc1ccc(S(=O)(=O)O)c(N=NC2C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C(=O)O)c1- InChIKey
VBYWTDIEYSAZHP-UHFFFAOYSA-N- 분자식
- C16H13N5O9S2
- 평균 분자량
- 483.4 g/mol
- 단동위원소 질량
- 483.01546936
이름 및 식별자
- 우선 이름
- 1H-Pyrazole-3-carboxylic acid, 4-(2-(5-amino-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-
- IUPAC
- 4-[(5-amino-2-sulfophenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
- 영어명
- 4-[(5-amino-2-sulphophenyl)azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid
- 분자식
- C16H13N5O9S2
- 분자량
- 483.43
이름 및 동의어
EINECS 264-128-0DTXSID008857581H-Pyrazole-3-carboxylic acid, 4-((5-amino-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-Pyrazole-3-carboxylic acid, 4-(2-(5-amino-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-Pyrazole-3-carboxylic acid, 4-[(5-amino-2-sulfophenyl)azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-Pyrazole-3-carboxylic acid, 4-[2-(5-amino-2-sulfophenyl)diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-RefChem:439040DTXCID40102512063400-64-64-((5-Amino-2-sulphophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid4-[(5-amino-2-sulphophenyl)azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acidSCHEMBL10350714
이름 더 보기
4-[(5-Amino-2-sulfophenyl)azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
VBYWTDIEYSAZHP-UHFFFAOYSA-NDB-218607NS000550884-[(5-Amino-2-sulfophenyl)diazenyl]-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
물성
구조 계산 물성
- XLogP
- -0.2
- 극성 표면적
- 246 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 1,020
물리화학적 성질
- EPA
- 1 H-Pyrazole-3-carboxylic · 1H-Pyrazole-3-carboxylic acid, 4-[(5-amino-2-sulfophenyl)azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)- (63400-64-6)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Pyrazole-3-carboxylic acid, 4-[2-(5-amino-2-sulfophenyl)diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-: INACTIVE
관련 반응
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