기본 정보
- CAS
68238-92-6- 표준 SMILES
O=C(Nc1cc(S(=O)(=O)[O-])cc2cc(S(=O)(=O)[O-])c(N=Nc3ccc4c(S(=O)(=O)[O-])cccc4c3S(=O)(=O)[O-])c(O)c12)c1cccc(Nc2nc(F)nc(F)c2Cl)c1.[Na+].[Na+].[Na+].[Na+]- InChIKey
KFZGCQOLFVUWBZ-UHFFFAOYSA-J- 분자식
- C31H15ClF2N6Na4O14S4
- 평균 분자량
- 989.2 g/mol
- 단동위원소 질량
- 987.877645
이름 및 식별자
- 우선 이름
- 1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4)
- IUPAC
- tetrasodium;5-[[3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzoyl]amino]-3-[(1,5-disulfonatonaphthalen-2-yl)diazenyl]-4-hydroxynaphthalene-2,7-disulfonate
- 영어명
- tetrasodium 2-[[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate
- 분자식
- C31H15ClF2N6Na4O14S4
- 분자량
- 989.1514864
이름 및 동의어
DTXSID8071306EINECS 269-412-81,5-Naphthalenedisulfonic acid, 2-[[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium salt1,5-Naphthalenedisulfonic acid, 2-((8-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)benzoyl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)azo)-, tetrasodium salt1,5-Naphthalenedisulfonic acid, 2-(2-(8-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)benzoyl)amino)-1-hydroxy-3,6-disulfo-2-naphthalenyl)diazenyl)-, sodium salt (1:4)Tetrasodium 2-((8-((3-((5-chloro-2,6-difluoro-4-pyrimidinyl)amino)benzoyl)amino)-1-hydroxy-3,6-disulphonato-2-naphthyl)azo)naphthalene-1,5-disulphonate1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4)Tetrasodium 2-[[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonateRefChem:417359DTXCID5045756269-412-868238-92-6
이름 더 보기
KFZGCQOLFVUWBZ-RJOFBDMQSA-J1-[3-[(2,4-Difluoro-5-chloropyrimidin-6-yl)amino]benzoylamino]-7-[1,5-di(sodiooxysulfonyl)-2-naphtylazo]-8-hydroxynaphthalene-3,6-disulfonic acid disodium salt1,5-Naphthalenedisulfonic acid, 2-[[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl) amino] benzoyl] amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl] azo]-, tetrasodium salt
2-8-3-(5-chloro-2,6-difluoro-4-pyrimidinyl)aminobenzoylamino-1-hydroxy-3,6-disulphonato-2-naphthylazonaphthale ne-1,5-disulphonate (sodium salt)SCHEMBL15545271SCHEMBL15545273NS00061146Tetrasodium 2-[(8-{3-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]benzamido}-1-hydroxy-3,6-disulfonatonaphthalen-2-yl)diazenyl]naphthalene-1,5-disulfonate
데이터베이스 식별자
- CAS
68238-92-6- PubChem CID
- 109867
- DTXSID
DTXSID8071306- EC Number
- 269-412-8
물성
구조 계산 물성
- 극성 표면적
- 374 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 21
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 62
- 형식 전하
- 0
- 복잡도
- 1,930
물리화학적 성질
- 밀도
- 1.52 · 1.52[at 20℃]
- 수용성
- 144.59 g/L · 144.59g/L at 20℃
- LogP
- -2.46 at · -2.46 at 20℃
- EPA
- 1 · 1,5-Naphthalenedisulfonic acid, 2-[[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium salt (68238-92-6)
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 60% (6 of 10) of all reports.
Warning
H317 (40%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 10 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 1,5-Naphthalenedisulfonic acid, 2-[[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium salt
REACH registered substance: Tetrasodium 2-[[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate (EC: 269-412-8)
Other Safety InformationIMAP assessments - 1,5-Naphthalenedisulfonic acid, 2-[[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-, tetrasodium salt: Human health tier I assessment
Hazard Classes and CategoriesSkin Sens. 1B (40%)
안전 데이터
- tsca
- TSCA listed
화학 및 산업
용도 및 제조
General Manufacturing Information1,5-Naphthalenedisulfonic acid, 2-[2-[8-[[3-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]benzoyl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]diazenyl]-, sodium salt (1:4): ACTIVE
공급사1 곳
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
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