기본 정보
- CAS
29128-77-6- 표준 SMILES
Cc1ccc(S(=O)(=O)Oc2ccc(N=Nc3ccc(-c4ccc(N=Nc5c(S(=O)(=O)O)cc6cc(S(=O)(=O)O)ccc6c5O)cc4C)c(C)c3)cc2)cc1- InChIKey
YSHSHWHUIBZXKJ-UHFFFAOYSA-N- 분자식
- C37H30N4O10S3
- 평균 분자량
- 786.9 g/mol
- 단동위원소 질량
- 786.11240669
이름 및 식별자
- 우선 이름
- Acid Red 111 free acid
- IUPAC
- 4-hydroxy-3-[[3-methyl-4-[2-methyl-4-[[4-(4-methylphenyl)sulfonyloxyphenyl]diazenyl]phenyl]phenyl]diazenyl]naphthalene-2,7-disulfonic acid
- 영어명
- 3-[[2,2'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid
- 분자식
- C37H30N4O10S3
- 분자량
- 786.85
이름 및 동의어
Acid Red 111 free acidDH7K645W2YAcid Red 111 parentEINECS 249-460-629128-77-6DTXSID40450542,7-NAPHTHALENEDISULFONIC ACID, 3-((2,2'-DIMETHYL-4'-((4-(((4-METHYLPHENYL)SULFONYL)OXY)PHENYL)AZO)(1,1'-BIPHENYL)-4-YL)AZO)-4-HYDROXY-2,7-NAPHTHALENEDISULFONIC ACID, 3-(2-(2,2'-DIMETHYL-4'-(2-(4-(((4-METHYLPHENYL)SULFONYL)OXY)PHENYL)DIAZENYL)(1,1'-BIPHENYL)-4-YL)DIAZENYL)-4-HYDROXY-2,7-Naphthalenedisulfonic acid, 3-[[2,2'-dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-RefChem:552627DTXCID2025054UNII-DH7K645W2Y
이름 더 보기
3-[[2,2'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid3-[[2,2'-dimethyl-4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid3-[[2,2'-Dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo]-1,1'-biphenyl-4-yl]azo]-4-hydroxy-2,7-naphthalenedisulfonic acid
물성
구조 계산 물성
- XLogP
- 7.7
- 극성 표면적
- 247 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 54
- 형식 전하
- 0
- 복잡도
- 1,640
물리화학적 성질
- 밀도
- 1.483 · 1.483±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- -0.155 · -0.155±0.40(predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 2,7-Naphthalenedisulfonic acid, 3-[[2,2'-dimethyl-4'-[[4-[[(4-methylphenyl)sulfonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxy-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
화학 및 산업
공급사1 곳
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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