기본 정보
- CAS
6359-86-0- 표준 SMILES
CC1=NN(c2ccc(S(=O)(=O)[O-])cc2)C(=O)C1N=Nc1cc([N+](=O)[O-])ccc1O.[Na+]- InChIKey
JXOVBZBVMDRWSE-UHFFFAOYSA-M- 분자식
- C16H12N5NaO7S
- 평균 분자량
- 441.4 g/mol
- 단동위원소 질량
- 441.03551319
개요
See other relationships...
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 4-[4,5-dihydro-4-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1)
- IUPAC
- sodium 4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
이름 및 동의어
DTXSID10884272Benzenesulfonic acid, 4-(4,5-dihydro-4-(2-(2-hydroxy-5-nitrophenyl)diazenyl)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, sodium salt (1:1)Benzenesulfonic acid, 4-[4,5-dihydro-4-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1)Sodium p-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonateSodium p-[4,5-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonateRefChem:564495DTXCID701023723228-811-76359-86-02-Pyrazolin-5-one, 4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-1-(p-sulfophenyl)-, sodium saltsodium;4-[4-[(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonateBenzenesulfonic acid, 4-(4,5-dihydro-4-((2-hydroxy-5-nitrophenyl)azo)-3-methyl-5-oxo-1H-pyrazol-1-yl)-, monosodium salt
이름 더 보기
Benzenesulfonic acid, 4-[4,5-dihydro-4-[(2-hydroxy-5-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, monosodium saltEINECS 228-811-7Java Chrome Orange GRC.I.Mordant Orange 3SCHEMBL29543570FM39414NS000433334- [4, 5- Dihydro- 4- [2- (2- hydroxy- 5- nitrophenyl) diazenyl] - 3- methyl- 5- oxo- 1H- pyrazol- 1- yl] - benzenesulfonic acid sod ium salt
물성
구조 계산 물성
- 극성 표면적
- 189 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 797
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenesulfonic acid, 4-[4,5-dihydro-4-[2-(2-hydroxy-5-nitrophenyl)diazenyl]-3-methyl-5-oxo-1H-pyrazol-1-yl]-, sodium salt (1:1): INACTIVE
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…