기본 정보
- CAS
25188-42-5- 표준 SMILES
O=C(Nc1ccc2c(O)c(N=Nc3ccc(N=Nc4ccc(S(=O)(=O)O)cc4)cc3)c(S(=O)(=O)O)cc2c1)c1ccccc1- InChIKey
IGXZMQCLUNTWCC-UHFFFAOYSA-N- 분자식
- C29H21N5O8S2
- 평균 분자량
- 631.6 g/mol
- 단동위원소 질량
- 631.08315463
개요
Sirius red 4B (acid form) is a naphthalenesulfonic acid that is 7-amino-4-hydroxy-3-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid in which one of the amino hydrogens is replaced by a benzoyl group. The disodium salt is the histological dye 'Sirius red 4B'. It has a role as a fluorochrome, a poison, a histological dye and an environmental contaminant. It is a member of azobenzenes, a member of benzamides, a member of naphthols, a naphthalenesulfonic acid and a bis(azo) compound. It is a conjugate acid of a Sirius red 4B(2-).
이름 및 식별자
- 우선 이름
- Direct Red 81 free acid
- IUPAC
- 7-benzamido-4-hydroxy-3-[[4-[(4-sulfophenyl)diazenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
- 현지명
- 7-(벤조일아미노)-4-하이드록시-3-[[4-[(4-설포페닐)아조]페닐]아조]-2-나프탈렌설포닉애씨드
- 영어명
- 7-benzamido-4-hydroxy-3-[[4-[(4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid
- 분자식
- C29H21N5O8S2
- 분자량
- 631.64
이름 및 동의어
Direct Red 81 free acid7-(Benzoylamino)-4-hydroxy-3-((4-((4-sulfophenyl)azo)phenyl)azo)-2-naphthalenesulfonic acidRLM8W5IPXBEINECS 246-727-9DIRECT PAPER RED 4BL2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-((4-((4-sulfophenyl)azo)phenyl)azo)-7-Benzamido-4-hydroxy-3-((4-((4-sulphophenyl)azo)phenyl)azo)naphthalene-2-sulphonic acid7-benzamido-4-hydroxy-3-[[4-[(4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid2-NAPHTHALENESULFONIC ACID, 7-(BENZOYLAMINO)-4-HYDROXY-3-(2-(4-(2-(4-SULFOPHENYL)DIAZENYL)PHENYL)DIAZENYL)-2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-7-(Benzoylamino)-4-hydroxy-3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-2-naphthalenesulfonic acidRefChem:589141
이름 더 보기
7-(벤조일아미노)-4-하이드록시-3-[[4-[(4-설포페닐)아조]페닐]아조]-2-나프탈렌설포닉애씨드7-(벤조일아미노)-4-하이드록시-3-[[4-[(4-설포페닐)아조]페닐]아조]-2-나프탈렌설포닉애씨드및그염류7-Benzoylamino-4-hydroxy-3-[4-(4-sulfophenylazo)phenylazo]-2-naphthalenesulfonic acid
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 224 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 1,250
실험 및 물리화학적 성질
Collision Cross Section283.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5041726]
물리화학적 성질
- 밀도
- 1.54 · 1.54±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- -1.06 · -1.06±0.50(Predicted)
- EPA
- 7 · 7-(Benzoylamino)-4-hydroxy-3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-2-naphthalenesulfonic acid (25188-42-5)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 99.1% (107 of 108) of all reports.
Not Classified
Aggregated GHS information provided per 108 reports by companies from 3 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationChemical: 2-Naphthalenesulfonic acid, 7-(benzoylamino)-4-hydroxy-3-[[4-[(4-sulfophenyl)azo]phenyl]azo]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesNot Classified
안전 데이터
- 기존화학 물질
- KE-02142
화학 및 산업
공급사2 곳
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
추가 설명
정의ChEBI: A naphthalenesulfonic acid that is 7-amino-4-hydroxy-3-({4-[(4-sulfophenyl)diazenyl]phenyl}diazenyl)naphthalene-2-sulfonic acid in which one of the amino hydrogens is replaced by a benzoyl group. The disodium salt is the histological dye 'Sirius red 4B'.
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