기본 정보
- CAS
83006-48-8- 표준 SMILES
CCN(c1ccccc1)S(=O)(=O)c1cc(N=NC2C(=O)N(c3ccc(S(=O)(=O)O)cc3)N=C2C)ccc1C- InChIKey
BGPWYLNVCADBHC-UHFFFAOYSA-N- 분자식
- C25H25N5O6S2
- 평균 분자량
- 555.6 g/mol
- 단동위원소 질량
- 555.12462588
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 4-(4-((3-((ethylphenylamino)sulfonyl)-4-methylphenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
- IUPAC
- 4-[4-[[3-[ethyl(phenyl)sulfamoyl]-4-methylphenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonic acid
- 영어명
- 4-[4-[[3-[(ethylanilino)sulphonyl]-4-methylphenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid
- 분자식
- C25H25N5O6S2
- 분자량
- 555.63
이름 및 동의어
Benzenesulfonic acid, 4-(4-((3-((ethylphenylamino)sulfonyl)-4-methylphenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-Benzenesulfonic acid, 4-[4-[[3-[(ethylphenylamino)sulfonyl]-4-methylphenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-RefChem:564461EINECS 280-098-183006-48-84-(4-((3-((Ethylanilino)sulphonyl)-4-methylphenyl)azo)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acidBGPWYLNVCADBHC-UHFFFAOYSA-N4-[4-[[3-[(ethylphenylamino)sulfonyl]-4-methylphenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yBenzenesulfonic acid4-[4-[[3-[(ethylanilino)sulphonyl]-4-methylphenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid4-[[4-[[3-[(Ethylphenylamino)sulfonyl]-4-methylphenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-1-yl]benzenesulfonic acidBenzenesulfonic acid, 4-[4-[[3-[(ethylphenylamino) sulfonyl]-4-methylphenyl]azo]-4,5-dihydro-3-methyl -5-oxo-1H-pyrazol-1-yl]-Benzenesulfonic acid,4-[4-[2-[3-[(ethylphenylamino)sulfonyl]-4-methylphenyl]diazenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 166 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 1,120
물리화학적 성질
- 밀도
- 1.43 · 1.430±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- -0.547 · -0.547±0.50(predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Benzenesulfonic acid, 4-[4-[[3-[(ethylphenylamino)sulfonyl]-4-methylphenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-
Other Safety InformationIMAP assessments - Benzenesulfonic acid, 4-[4-[[3-[(ethylphenylamino)sulfonyl]-4-methylphenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-: Human health tier I assessment
화학 및 산업
공급사1 곳
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…