기본 정보
- CAS
75199-00-7- 표준 SMILES
O=C([O-])C1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1ccc(NC(=O)c2ccc3nc(Cl)c(Cl)nc3c2)cc1S(=O)(=O)[O-].[Na+].[Na+].[Na+]- InChIKey
RJGNVZNQMMHZLS-UHFFFAOYSA-K- 분자식
- C25H12Cl2N7Na3O10S2
- 평균 분자량
- 774.4 g/mol
- 단동위원소 질량
- 772.9157202
이름 및 식별자
- 우선 이름
- 1h-pyrazole-3-carboxylic acid, 4-((4-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt
- IUPAC
- trisodium;4-[[4-[(2,3-dichloroquinoxaline-6-carbonyl)amino]-2-sulfonatophenyl]diazenyl]-5-oxo-1-(4-sulfonatophenyl)-4H-pyrazole-3-carboxylate
- 영어명
- trisodium 4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
- 분자식
- C25H12Cl2N7Na3O10S2
- 분자량
- 774.40899
이름 및 동의어
DTXSID108902721H-Pyrazole-3-carboxylic acid, 4-((4-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt1H-Pyrazole-3-carboxylic acid, 4-(2-(4-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3)1H-Pyrazole-3-carboxylic acid, 4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt1H-Pyrazole-3-carboxylic acid, 4-[2-[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3)Trisodium 4-((4-(((2,3-dichloro-6-quinoxalinyl)carbonyl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylateTrisodium 4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylateRefChem:439021DTXCID101079209
물성
구조 계산 물성
- 극성 표면적
- 284 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 49
- 형식 전하
- 0
- 복잡도
- 1,450
물리화학적 성질
- 밀도
- 1.81 · 1.81[at 20℃]
- EPA
- 1 H-Pyrazole-3-carboxylic · 1H-Pyrazole-3-carboxylic acid, 4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt (75199-00-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 23 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1H-Pyrazole-3-carboxylic acid, 4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt
REACH registered substance: Trisodium 4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate (EC: 278-108-4)
1H-Pyrazole-3-carboxylic acid, 4-4-(2,3-dichloro-6-quinoxalinyl)carbonylamino-2-sulfophenylazo-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - 1H-Pyrazole-3-carboxylic acid, 4-[[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulfophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, trisodium salt: Human health tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (100%)
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-04859
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Pyrazole-3-carboxylic acid, 4-[2-[4-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt (1:3): ACTIVE
공급사1 곳
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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