기본 정보
- CAS
149440-01-7- 표준 SMILES
COc1cc(S(=O)(=O)O)c(C)cc1N=Nc1c(O)ccc2cc(S(=O)(=O)O)ccc12- InChIKey
UQWIHFJXDRNUDP-UHFFFAOYSA-N- 분자식
- C18H16N2O8S2
- 평균 분자량
- 452.5 g/mol
- 단동위원소 질량
- 452.03480782
개요
See also: FD&C Red No. 40 (annotation moved to).
이름 및 식별자
- 우선 이름
- 6-Hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-2-naphthalenesulfonic acid
- IUPAC
- 6-hydroxy-5-[(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
이름 및 동의어
149440-01-76-Hydroxy-5-(2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl)-2-naphthalenesulfonic acid6-Hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-2-naphthalenesulfonic acidRefChem:199091TJP6T3TJP4UNII-TJP6T3TJP4Curry redRed No. 40FD&C Red No. 40FD and C Red No. 40FD & C Red no. 402-Naphthalenesulfonic acid, 6-hydroxy-5-(2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl)-
이름 더 보기
6-Hydroxy-5-((2-methoxy-5-methyl-4-sulfonatophenyl)diazenyl)naphthalene-2-sulfonic acid2-Naphthalenesulfonic acid, 6-hydroxy-5-[2-(2-methoxy-5-methyl-4-sulfophenyl)diazenyl]-6-Hydroxy-5-[(2-methoxy-5-methyl-4-sulfonatophenyl)diazenyl]naphthalene-2-sulfonic acidFD&C Red No. 40 parentSCHEMBL456885SCHEMBL456886SCHEMBL5471076SCHEMBL5471082
데이터베이스 식별자
- CAS
149440-01-7- PubChem CID
- 33259
- DTXSID
DTXSID1044302- ChEMBL
CHEMBL1206007、CHEMBL1900089、CHEMBL3306829- UNII
- TJP6T3TJP4
- Nikkaji
- J641.458C
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 180 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 835
실험 및 물리화학적 성질
CosmeticsHair dyeing
Collision Cross Section214.8 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID4024436]
화학 및 산업
용도 및 제조
Use Classification
Food Additives -> COLOUR -> JECFA Functional Classes
Cosmetics -> Hair dyeing
관련 반응
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