기본 정보
- CAS
68594-62-7- 표준 SMILES
CC(=O)Nc1ccc(N=Nc2c(N)ccc3cc(S(=O)(=O)O)cc(O)c23)c(C(F)(F)F)c1- InChIKey
WZMFZOXPBUCMPA-UHFFFAOYSA-N- 분자식
- C19H15F3N4O5S
- 평균 분자량
- 468.4 g/mol
- 단동위원소 질량
- 468.07152525
이름 및 식별자
- 우선 이름
- 5-[2-[4-(Acetylamino)-2-(trifluoromethyl)phenyl]diazenyl]-6-amino-4-hydroxy-2-naphthalenesulfonic acid
- IUPAC
- 5-[[4-acetamido-2-(trifluoromethyl)phenyl]diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonic acid
- 영어명
- 5-[[4-acetamido-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxynaphthalene-2-sulphonic acid
- 분자식
- C19H15F3N4O5S
- 분자량
- 468.41
이름 및 동의어
9G77SUU52Q2-Naphthalenesulfonic acid, 5-[[4-(acetylamino)-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxy-5-[[4-acetamido-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxynaphthalene-2-sulphonic acidEINECS 271-617-2UNII-9G77SUU52QDTXSID00717025-((4-Acetamido-2-(trifluoromethyl)phenyl)azo)-6-amino-4-hydroxynaphthalene-2-sulphonic acid2-Naphthalenesulfonic acid, 5-((4-(acetylamino)-2-(trifluoromethyl)phenyl)azo)-6-amino-4-hydroxy-5-((4-(Acetylamino)-2-(trifluoromethyl)phenyl)azo)-6-amino-4-hydroxy-2-naphthalenesulfonic acid2-Naphthalenesulfonic acid, 5-(2-(4-(acetylamino)-2-(trifluoromethyl)phenyl)diazenyl)-6-amino-4-hydroxy-5-(2-(4-(Acetylamino)-2-(trifluoromethyl)phenyl)diazenyl)-6-amino-4-hydroxy-2-naphthalenesulfonic acid2-Naphthalenesulfonic acid, 5-[2-[4-(acetylamino)-2-(trifluoromethyl)phenyl]diazenyl]-6-amino-4-hydroxy-
이름 더 보기
5-(4-Acetylamino-2-trifluoromethylphenylazo)-6-amino-4-hydroxy-2-naphthalenesulfonic acid5-[4-Acetylamino-2-(trifluoromethyl)phenylazo]-6-amino-4-hydroxy-2-naphthalenesulfonic acid2-Naphthalenesulfonic acid, 5-[[4-(acetylamino)-2-(trifluoromethyl) phenyl]azo]-6-amino-4-hydroxy-
5-[2-[4-(Acetylamino)-2-(trifluoromethyl)phenyl]diazenyl]-6-amino-4-hydroxy-2-naphthalenesulfonic acidRefChem:101577DTXCID204617368594-62-75-[[4-acetamido-2-(trifluoromethyl)phenyl]diazenyl]-6-amino-4-hydroxynaphthalene-2-sulfonic acid5-{[4-Acetamido-2-(trifluoromethyl)phenyl]diazenyl}-6-amino-4-hydroxynaphthalene-2-sulfonic acidWZMFZOXPBUCMPA-OCEACIFDSA-NWZMFZOXPBUCMPA-UHFFFAOYSA-N
데이터베이스 식별자
- CAS
68594-62-7- PubChem CID
- 110616
- DTXSID
DTXSID0071702- UNII
- 9G77SUU52Q
- EC Number
- 271-617-2
- Nikkaji
- J42.323H
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 163 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 819
물리화학적 성질
- 밀도
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -0.44 · -0.44±0.40(Predicted)
- EPA
- 2 · 2-Naphthalenesulfonic acid, 5-[[4-(acetylamino)-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxy- (68594-62-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
Regulatory InformationChemical: 2-Naphthalenesulfonic acid, 5-[[4-(acetylamino)-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxy-
Other Safety InformationIMAP assessments - 2-Naphthalenesulfonic acid, 5-[[4-(acetylamino)-2-(trifluoromethyl)phenyl]azo]-6-amino-4-hydroxy-: Human health tier I assessment
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- KE-00106
화학 및 산업
용도 및 제조
General Manufacturing Information2-Naphthalenesulfonic acid, 5-[2-[4-(acetylamino)-2-(trifluoromethyl)phenyl]diazenyl]-6-amino-4-hydroxy-: ACTIVE
관련 반응
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