기본 정보
- 표준 SMILES
CN(c1ccc2c(O)c(N=Nc3ccc4c(S(=O)(=O)O)cccc4c3S(=O)(=O)O)c(S(=O)(=O)O)cc2c1)c1nc(N)nc(Cl)n1- InChIKey
JTQUSZACCUVZLO-UHFFFAOYSA-N- 분자식
- C24H18ClN7O10S3
- 평균 분자량
- 696.1 g/mol
- 단동위원소 질량
- 694.99658046
이름 및 식별자
- 우선 이름
- 1,5-Naphthalenedisulfonic acid, 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-
- IUPAC
- 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)-methylamino]-1-hydroxy-3-sulfonaphthalen-2-yl]diazenyl]naphthalene-1,5-disulfonic acid
- 영어명
- 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid
- 분자식
- C24H18ClN7O10S3
- 분자량
- 696.09
이름 및 동의어
1,5-Naphthalenedisulfonic acid, 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-1,5-Naphthalenedisulfonic acid, 2-((6-((4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-RefChem:41732977365-26-5C.I. Reactive orange 132-((6-((4-Amino-6-chloro-1,3,5-triazin-2-yl)methylamino)-1-hydroxy-3-sulpho-2-naphthyl)azo)naphthalene-1,5-disulphonic acid2-((6-((4-Amino-6-chloro-1,3,5-triazin-2-yl)(methyl)amino)-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl)naphthalene-1,5-disulfonic acid2-[2-[6-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-1,5-naphthalenedisulfonic acid2-({6-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)(methyl)amino]-1-hydroxy-3-sulfonaphthalen-2-yl}diazenyl)naphthalene-1,5-disulfonic acidEINECS 278-673-7P75WZ75VGJSCHEMBL3698744
이름 더 보기
REACTIVE ORANGE 13 (PROCION ORANGE H-2R)2-[[6-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphtyl]azo]-1,5-naphthalenedisulfonic acid2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulpho-2-naphthyl]azo]naphthalene-1,5-disulphonic acid2-[[6-[(4-Amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-1,5-naphthalenedisulfonic acid
SCHEMBL3698750SCHEMBL29575167DTXSID80867931JTQUSZACCUVZLO-UHFFFAOYSA-NAKOS024429595NS000898321,5-Naphthalenedisulfonic acid, 2-[2-[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]-2-((6-((4-Amino-6-chloro-1,3,5-triazin-2-yl)(methyl)amino)-1-hydroxy-3-sulfonaphthalen-2-yl)diazenyl)naphthalene-1,5-disulfonicacid
데이터베이스 식별자
- CAS
77365-26-5- PubChem CID
- 94661
- DTXSID
DTXSID80867931- UNII
- P75WZ75VGJ
- EC Number
- 278-673-7
물성
구조 계산 물성
- XLogP
- 2.8
- 극성 표면적
- 301 Ų
- 수소 결합 공여자 수
- 5
- 수소 결합 수용자 수
- 17
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 1,420
물리화학적 성질
- 밀도
- 1.908 · 1.908±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- 산도 계수 (pKa)
- -0.284 · -0.284±0.40(predicted)
안전 및 규제
유해성 정보
Regulatory InformationChemical: 1,5-Naphthalenedisulfonic acid, 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-
Other Safety InformationIMAP assessments - 1,5-Naphthalenedisulfonic acid, 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]-: Human health tier I assessment
화학 및 산업
공급사1 곳
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
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