기본 정보
- CAS
90677-63-7- 표준 SMILES
O=S(=O)([O-])c1ccc2[nH]c(-c3ccccc3)c(N=Nc3ccccc3S(=O)(=O)c3ccccc3)c2c1.[Na+]- InChIKey
GVJNAEQUDNQRDC-UHFFFAOYSA-M- 분자식
- C26H18N3NaO5S2
- 평균 분자량
- 539.6 g/mol
- 단동위원소 질량
- 539.05855731
이름 및 식별자
- 우선 이름
- 1H-Indole-5-sulfonic acid, 2-phenyl-3-[2-[2-(phenylsulfonyl)phenyl]diazenyl]-, sodium salt (1:1)
- IUPAC
- sodium 3-[[2-(benzenesulfonyl)phenyl]diazenyl]-2-phenyl-1H-indole-5-sulfonate
- 현지명
- 1H-인돌-5-술폰산,2-페닐-3-2-(페닐술포닐)페닐아조-,일나트륨염
- 영어명
- 1H-Indole-5-sulfonic acid, 2-phenyl-3-2-(phenylsulfonyl)phenylazo-, monosodium salt
- 분자식
- C26H19N3O5S2.Na
- 분자량
- 540.57
이름 및 동의어
90677-63-7DTXSID008887041H-Indole-5-sulfonic acid, 2-phenyl-3-(2-(2-(phenylsulfonyl)phenyl)diazenyl)-, sodium salt (1:1)1H-Indole-5-sulfonic acid, 2-phenyl-3-[2-[2-(phenylsulfonyl)phenyl]diazenyl]-, sodium salt (1:1)1 H-Indole-5-Sulfonic acid, 2-phenyl-3-((2-(phenyl)sulfonyl)phenyl)azo)-,monosodium salt1 H-Indole-5-Sulfonic acid, 2-phenyl-3-[[2-(phenyl)sulfonyl)phenyl)azo]-,monosodium saltRefChem:79882DTXCID801027980618-621-61H-Indole-5-sulfonic acid, 2-phenyl-3-((2-(phenylsulfonyl)phenyl)azo)-, monosodium salt1H-Indole-5-sulfonic acid, 2-phenyl-3-[[2-(phenylsulfonyl)phenyl]azo]-, monosodium saltGVJNAEQUDNQRDC-UHFFFAOYSA-M
이름 더 보기
1H-인돌-5-술폰산,2-페닐-3-2-(페닐술포닐)페닐아조-,일나트륨염2-Phenyl-3-[2-(phenylsulfonyl)phenylazo]-1H-indole-5-sulfonic acid sodium salt1H-Indole-5-sulfonic acid, 2-phenyl-3-2-(phenylsulfonyl)phenylazo-, monosodium salt1H-Indole-5-sulfonic acid, 2-phenyl-3-[2-[2-( phenylsulfonyl)phenyl]diazenyl]-, sodium salt (1:1)
물성
구조 계산 물성
- 극성 표면적
- 149 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 985
물리화학적 성질
- EPA
- 1 H-Indole-5-sulfonic · 1H-Indole-5-sulfonic acid, 2-phenyl-3-[[2-(phenylsulfonyl)phenyl]azo]-, monosodium salt (90677-63-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 1 notifications to the ECHA C&L Inventory.
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1H-Indole-5-sulfonic acid, 2-phenyl-3-((2-(phenylsulfonyl)phenyl)azo)-, monosodium salt
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Sodium 2-phenyl-3-[[2-(phenylsulfonyl)phenyl]azo]-1H-indole-5-sulfonat (EC: 400-910-1)
1H-Indole-5-sulfonic acid, 2-phenyl-3-2-(phenylsulfonyl)phenylazo-, monosodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Aquatic Chronic 3 (100%)
Aquatic Chronic 3 (100%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information1H-Indole-5-sulfonic acid, 2-phenyl-3-[2-[2-(phenylsulfonyl)phenyl]diazenyl]-, sodium salt (1:1): ACTIVE
관련 반응
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