기본 정보
- CAS
72828-65-0- 표준 SMILES
CC1=NN(c2cc(S(=O)(=O)[O-])ccc2Cl)C(=O)C1N=Nc1ccc(C2(c3ccc(N=NC4C(=O)N(c5cc(S(=O)(=O)[O-])ccc5Cl)N=C4C)cc3)CCCCC2)cc1.[Na+].[Na+]- InChIKey
HEOPACURWUVTNI-UHFFFAOYSA-L- 분자식
- C38H32Cl2N8Na2O8S2
- 평균 분자량
- 909.7 g/mol
- 단동위원소 질량
- 908.0956963
이름 및 식별자
- 우선 이름
- Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, sodium salt (1:2)
- IUPAC
- disodium;4-chloro-3-[4-[[4-[1-[4-[[1-(2-chloro-5-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate
- 영어명
- disodium 3,3'-[cyclohexylidenebis[4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chlorobenzenesulphonate]
- 분자식
- C38H32Cl2N8Na2O8S2
- 분자량
- 909.72502
이름 및 동의어
72828-65-0EINECS 276-880-7DTXSID50890291Benzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, disodium saltBenzenesulfonic acid, 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chloro-, sodium salt (1:2)Benzenesulfonic acid, 3,3'-[cyclohexylidenebis[4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chloro-, disodium saltBenzenesulfonic acid, 3,3'-[cyclohexylidenebis[4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chloro-, sodium salt (1:2)RefChem:117862DTXCID301029543HEOPACURWUVTNI-UHFFFAOYSA-LNS00062416Disodium 3,3'-(cyclohexylidenebis(4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)))bis(4-chlorobenzenesulphonate)
이름 더 보기
disodium 3,3'-[cyclohexylidenebis[4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chlorobenzenesulphonate]3,3'-[Cyclohexylidenebis[4,1-phenyleneazo[(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole)-4,1-diyl]]]bis[4-chlorobenzenesulfonic acid]disodium saltBenzenesulfonic acid, 3,3'-[cyclohexylidenebis[ 4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole -4,1-diyl)]]bis[4-chloro-, disodium salt
Disodium 3,3'-{2~3~,2~4~,2~5~,2~6~-tetrahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-1~4~,3~4~-diylbis[diazene-2,1-diyl(3-methyl-5-oxo-4,5-dihydro-1H-pyrazole-4,1-diyl)]}bis(4-chlorobenzene-1-sulfonate)
데이터베이스 식별자
- CAS
72828-65-0- PubChem CID
- 166305
- DTXSID
DTXSID50890291- EC Number
- 276-880-7
- Nikkaji
- J318.843D
물성
구조 계산 물성
- 극성 표면적
- 246 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 60
- 형식 전하
- 0
- 복잡도
- 1,730
물리화학적 성질
- EPA
- 3 · Benzenesulfonic acid, 3,3'-[cyclohexylidenebis[4,1-phenyleneazo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chloro-, disodium salt (72828-65-0)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- tsca
- TSCA listed
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