Benzenesulfonic acid, 4-chloro-3-(2-(1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-, sodium salt (1:1)
기본 정보
- CAS
37078-96-9- 표준 SMILES
CC1=NN(c2ccc(Cl)cc2)C(=O)C1N=Nc1cc(S(=O)(=O)[O-])ccc1Cl.[Na+]- InChIKey
PKDOCRWEPWVNMS-UHFFFAOYSA-M- 분자식
- C16H11Cl2N4NaO4S
- 평균 분자량
- 449.2 g/mol
- 단동위원소 질량
- 447.9775757
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 4-chloro-3-(2-(1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-, sodium salt (1:1)
- IUPAC
- sodium 4-chloro-3-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]benzenesulfonate
- 영어명
- sodium 4-chloro-3-[[1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate
- 분자식
- C16H11Cl2N4NaO4S
- 분자량
- 450.25
이름 및 동의어
37078-96-9EINECS 253-338-8DTXSID308856604-Chloro-3-((1-(p-chlorophenyl)-3-methyl-5-oxo-2-pyrazolin-4-yl)azo), monosodium saltBenzenesulfonic acid, 4-chloro-3-((1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo)-, sodium salt4-Chloro-3-((1-(p-chlorophenyl)-3-methyl-5-oxo-2-pyrazolin-4-yl)azo)benzenesulfonic acid, sodium salt4-Chloro-3-((4,5-dihydro-3-methyl-5-oxo-1-(4-chlorophenyl)-1H-pyrazol-4-yl)azo)benzenesulfonic acid, sodium saltBenzenesulfonic acid, 4-chloro-3-((1-(4-chlorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-4-yl)azo)-, sodium saltBenzenesulfonic acid, 4-chloro-3-(2-(1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)diazenyl)-, sodium salt (1:1)Benzenesulfonic acid, 4-chloro-3-[[1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, sodium saltBenzenesulfonic acid, 4-chloro-3-[2-[1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:1)RefChem:117994
이름 더 보기
sodium 4-chloro-3-[[1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate
물성
구조 계산 물성
- 극성 표면적
- 123 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 737
물리화학적 성질
- EPA
- 4 · Benzenesulfonic acid, 4-chloro-3-[[1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, sodium salt (37078-96-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: Benzenesulfonic acid, 4-chloro-3-[[1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, sodium salt
Other Safety InformationIMAP assessments - Benzenesulfonic acid, 4-chloro-3-[[1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-, sodium salt: Human health tier I assessment
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzenesulfonic acid, 4-chloro-3-[2-[1-(4-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]diazenyl]-, sodium salt (1:1): INACTIVE
관련 반응
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