기본 정보
- CAS
6442-00-8- 표준 SMILES
Cc1ccc2nc(-c3ccc(N=NC4C(=O)N(c5ccc(S(=O)(=O)[O-])cc5)N=C4C(=O)[O-])cc3)sc2c1S(=O)(=O)[O-].[Na+].[Na+].[Na+]- InChIKey
NYNDYBLXCWXHKE-UHFFFAOYSA-K- 분자식
- C24H14N5Na3O9S3
- 평균 분자량
- 681.6 g/mol
- 단동위원소 질량
- 680.96467341
이름 및 식별자
- 우선 이름
- Trisodium 4,5-dihydro-4-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
- IUPAC
- trisodium;4-[[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
- 영어명
- trisodium 4,5-dihydro-4-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
- 분자식
- C24H14N5Na3O9S3
- 분자량
- 681.56037
이름 및 동의어
6442-00-8DTXSID50889549Trisodium 4,5-dihydro-4-((4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl)azo)-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylateTrisodium 4,5-dihydro-4-[[4-(6-methyl-7-sulphonatobenzothiazol-2-yl)phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylateRefChem:386744DTXCID701030899229-235-91H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-((4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl)azo)-5-oxo-1-(4-sulfophenyl)-, trisodium salt1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-[[4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl]azo]-5-oxo-1-(4-sulfophenyl)-, trisodium saltEINECS 229-235-9NYNDYBLXCWXHKE-UHFFFAOYSA-KNS00046759
이름 더 보기
C.I.19160C.I.Direct Orange 174-[[4-(6-methyl-7-sulfonato-1,3-benzothiazol-2-yl)phenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate4,5-Dihydro-4-[[4-(6-methyl-7-sulfobenzothiazol-2-yl)phenyl]azo]-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid trisodium salt
물성
구조 계산 물성
- 극성 표면적
- 270 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,260
물리화학적 성질
- EPA
- 1 H-Pyrazole-3-carboxylic · 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-[[4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl]azo]-5-oxo-1-(4-sulfophenyl)-, trisodium salt (6442-00-8)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-[[4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl]azo]-5-oxo-1-(4-sulfophenyl)-, trisodium salt
Other Safety InformationIMAP assessments - 1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-[[4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl]azo]-5-oxo-1-(4-sulfophenyl)-, trisodium salt: Human health tier I assessment
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-4-[2-[4-(6-methyl-7-sulfo-2-benzothiazolyl)phenyl]diazenyl]-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3): INACTIVE
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…