기본 정보
- CAS
70833-47-5- 표준 SMILES
CC1=NN(c2c(C)cccc2Cl)C(=O)C1N=Nc1ccc2ccccc2c1S(=O)(=O)O- InChIKey
KGIUUGAGFHWHRX-UHFFFAOYSA-N- 분자식
- C21H17ClN4O4S
- 평균 분자량
- 456.9 g/mol
- 단동위원소 질량
- 456.0659039
이름 및 식별자
- 우선 이름
- 1-Naphthalenesulfonic acid, 2-[2-[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-
- IUPAC
- 2-[[1-(2-chloro-6-methylphenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]naphthalene-1-sulfonic acid
- 영어명
- 2-[[1-(6-chloro-o-tolyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonic acid
- 분자식
- C21H17ClN4O4S
- 분자량
- 456.9
이름 및 동의어
DTXSID108877431-Naphthalenesulfonic acid, 2-(2-(1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-1-Naphthalenesulfonic acid, 2-[2-[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-RefChem:434831DTXCID30102702870833-47-51-Naphthalenesulfonic acid, 2-((1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-1-Naphthalenesulfonic acid, 2-[[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-2-[[1-(6-chloro-o-tolyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulphonic acidEINECS 274-920-82-((1-(6-Chloro-o-tolyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)naphthalene-1-sulphonic acid1-(2-Chloro-6-methylphenyl)-3-methyl-4-((1-sulfo-2-naphthalenyl)azo)-2-pyrazolin-5-one
이름 더 보기
2-[[1-(6-Chloro-o-tolyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]naphthalene-1-sulfonic acid2-[[[1-(2-Chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol]-4-yl]azo]-1-naphthalenesulfonic acid
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 120 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 858
물리화학적 성질
- EPA
- 1 · 1-Naphthalenesulfonic acid, 2-[[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]- (70833-47-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information1-Naphthalenesulfonic acid, 2-[2-[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-: INACTIVE
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