5,5'-[비닐렌비스[(3-설포-p-페닐렌)아조]]비스[3-메틸살리실산]산,리튬나트륨염,2,2'-(메틸이미노)디에탄올과의화합물
Einecs 280-834-1
기본 정보
- CAS
83783-99-7- 표준 SMILES
CN(CCO)CCO.Cc1cc(N=Nc2ccc(/C=C/c3ccc(N=Nc4cc(C)c(O)c(C(=O)O)c4)c(S(=O)(=O)[O-])c3)c(S(=O)(=O)[O-])c2)cc(C(=O)O)c1O.[Li+].[Na+]- InChIKey
SKMFEMNIRJSYDW-AYWNNHRSSA-N- 분자식
- C35H35LiN5NaO14S2
- 평균 분자량
- 843.8 g/mol
- 단동위원소 질량
- 843.16796587
이름 및 식별자
- 우선 이름
- Einecs 280-834-1
- IUPAC
- lithium;sodium;2-[(3-carboxy-4-hydroxy-5-methylphenyl)diazenyl]-5-[(E)-2-[4-[(3-carboxy-4-hydroxy-5-methylphenyl)diazenyl]-2-sulfonatophenyl]ethenyl]benzenesulfonate;2-[2-hydroxyethyl(methyl)amino]ethanol
- 현지명
- 5,5'-[비닐렌비스[(3-설포-p-페닐렌)아조]]비스[3-메틸살리실산]산,리튬나트륨염,2,2'-(메틸이미노)디에탄올과의화합물
- 영어명
- 5,5'-[vinylenebis[(3-sulpho-p-phenylene)azo]]bis[3-methylsalicylic] acid, lithium sodium salt, compound with 2,2'-(methylimino)diethanol
- 분자식
- C35H37N5O14S2
- 분자량
- 815.82
이름 및 동의어
83783-99-75,5'-(Vinylenebis((3-sulpho-p-phenylene)azo))bis(3-methylsalicylic) acid, lithium sodium salt, compound with 2,2'-(methylimino)diethanol5,5'-[vinylenebis[(3-sulpho-p-phenylene)azo]]bis[3-methylsalicylic] acid, lithium sodium salt, compound with 2,2'-(methylimino)diethanolEINECS 280-834-15,5'-[비닐렌비스[(3-설포-p-페닐렌)아조]]비스[3-메틸살리실산]산,리튬나트륨염,2,2'-(메틸이미노)디에탄올과의화합물Benzoic acid, 3,3-1,2-ethenediylbis(3-sulfo-4,1-phenylene)azobis6-hydroxy-5-methyl-, lithium sodium salt, compd. with 2,2-(methylimino)bisethanol3,3'-[1,2-Ethenediylbis[(3-sulfo-4,1-phenylene)azo]]bis[6-hydroxy-5-methyl-benz oic acid, lithium sodium salt, compd. with 2,2'-(methylimino)bis[ethanol]
데이터베이스 식별자
- CAS
83783-99-7- PubChem CID
- 136064487
- EC Number
- 280-834-1
물성
구조 계산 물성
- 극성 표면적
- 339 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 58
- 형식 전하
- 0
- 복잡도
- 1,480
물리화학적 성질
- EPA
- 3 · Benzoic acid, 3,3'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)azo]]bis[6-hydroxy-5-methyl-, lithium sodium salt, compd. with 2,2'-(methylimino)bis[ethanol] (83783-99-7)
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 100% (37 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: Benzoic acid, 3,3'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)azo]]bis[6-hydroxy-5-methyl-, lithium sodium salt, compound with 2,2'-(methylimino)bis[ethanol]
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Benzoic acid, 3,3'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)azo]]bis[6-hydroxy-5-methyl-, lithium sodium salt, compd. with 2,2'-(methylimino)bis[ethanol]: 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 CategoriesNot Classified
안전 데이터
- tsca
- TSCA listed
- 기존화학 물질
- 2001-3-1704
화학 및 산업
용도 및 제조
General Manufacturing InformationBenzoic acid, 3,3'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)-2,1-diazenediyl]]bis[6-hydroxy-5-methyl-, lithium sodium salt, compd. with 2,2'-(methylimino)bis[ethanol] (1:?:?:?): ACTIVE
관련 반응
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