기본 정보
- CAS
72379-41-0- 표준 SMILES
CC1=NN(c2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)C(=O)C1N=Nc1cc(Nc2nc(F)nc(F)c2Cl)ccc1S(=O)(=O)[O-].[Na+].[Na+]- InChIKey
HQDXRVBGELSFMO-UHFFFAOYSA-L- 분자식
- C20H10Cl3F2N7Na2O7S2
- 평균 분자량
- 714.8 g/mol
- 단동위원소 질량
- 712.891216
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 2,5-dichloro-4-(4-(2-(5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)
- IUPAC
- disodium;2,5-dichloro-4-[4-[[5-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
- 영어명
- disodium 2,5-dichloro-4-[4-[[5-[(5-chloro-2,6-difluoro-4-pyrimidyl)amino]-2-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate
- 분자식
- C20H13Cl3F2N7NaO7S2
- 분자량
- 694.82
이름 및 동의어
72379-41-0EINECS 276-618-1DTXSID70890218Benzenesulfonic acid, 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, disodium saltBenzenesulfonic acid, 2,5-dichloro-4-(4-(2-(5-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)-2-sulfophenyl)diazenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:2)Benzenesulfonic acid, 2,5-dichloro-4-[4-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, disodium saltBenzenesulfonic acid, 2,5-dichloro-4-[4-[2-[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:2)RefChem:117812DTXCID301079148HQDXRVBGELSFMO-UHFFFAOYSA-LNS00126356Disodium 2,5-dichloro-4-(4-((5-((5-chloro-2,6-difluoro-4-pyrimidyl)amino)-2-sulphonatophenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate
물성
구조 계산 물성
- 극성 표면적
- 226 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,250
물리화학적 성질
- EPA
- 2 · Benzenesulfonic acid, 2,5-dichloro-4-[4-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, disodium salt (72379-41-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Benzenesulfonic acid, 2,5-dichloro-4-[4-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, disodium salt
Other Safety InformationIMAP assessments - Benzenesulfonic acid, 2,5-dichloro-4-[4-[[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, disodium salt: Human health tier I assessment
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenesulfonic acid, 2,5-dichloro-4-[4-[2-[5-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:2): INACTIVE
관련 반응
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