2,7-Naphthalenedisulfonic acid, 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulfophenyl)azo]-, hexasodium salt
기본 정보
- CAS
68214-04-0- 표준 SMILES
O=S(=O)([O-])c1cc(Nc2nc(Cl)nc(Nc3ccc(Nc4nc(Cl)nc(Nc5cc(S(=O)(=O)[O-])cc6cc(S(=O)(=O)[O-])c(N=Nc7ccccc7S(=O)(=O)[O-])c(O)c56)n4)cc3)n2)c2c(O)c(N=Nc3ccccc3S(=O)(=O)[O-])c(S(=O)(=O)[O-])cc2c1.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]- InChIKey
JCHWMQZZTLGTJZ-UHFFFAOYSA-H- 분자식
- C44H24Cl2N14Na6O20S6
- 평균 분자량
- 1,470 g/mol
- 단동위원소 질량
- 1,467.8378773
이름 및 식별자
- 우선 이름
- 2,7-Naphthalenedisulfonic acid, 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulfophenyl)azo]-, hexasodium salt
- IUPAC
- hexasodium;5-[[4-chloro-6-[4-[[4-chloro-6-[[8-hydroxy-3,6-disulfonato-7-[(2-sulfonatophenyl)diazenyl]naphthalen-1-yl]amino]-1,3,5-triazin-2-yl]amino]anilino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfonatophenyl)diazenyl]naphthalene-2,7-disulfonate
- 영어명
- hexasodium 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate]
- 분자식
- C44H31Cl2N14NaO20S6
- 분자량
- 1362.06
이름 및 동의어
68214-04-0Procion red HE-3BReactive Red KE 3B2,7-Naphthalenedisulfonic acid, 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulfophenyl)azo]-, hexasodium salt4,4'-1,4-phenylenebisimino(6-chloro-1,3,5-triazine-4,2-diyl)iminobis5-hydroxy-6-(2-sulphonatophenyl)azonaphthalene -2,7-disulphonate (sodium salt)Reactive Red 120 Sodium Salt (Technical Grade)2,7-Naphthalenedisulfonic acid, 4,4'-(1,4-phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-((2-sulfophenyl)azo)-, hexasodium salt2,7-Naphthalenedisulfonic acid, 4,4'-(1,4-phenylenebis(imino(6-chloro-1,3,5-triazine-4,2-diyl)imino))bis(5-hydroxy-6-(2-(2-sulfophenyl)diazenyl)-, sodium salt (1:6)2,7-Naphthalenedisulfonic acid, 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:6)C8DPS9SGD8DTXSID50889948EINECS 269-284-3
물성
구조 계산 물성
- 극성 표면적
- 609 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 34
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 92
- 형식 전하
- 0
- 복잡도
- 2,830
실험 및 물리화학적 성질
Physical DescriptionDry Powder
물리화학적 성질
- 증기압
- 0 Pa · 0Pa at 25℃
- 수용성
- 344 g/L · 344g/L at 20℃
- LogP
- 0.3 at · 0.3 at 25℃
- EPA
- 2 · 2,7-Naphthalenedisulfonic acid, 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulfophenyl)azo]-, hexasodium salt (68214-04-0)
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 0.8% (1 of 127) of reports.
Warning
H317 (94.5%): 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 127 reports by companies from 6 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information
Chemical: 2,7-Naphthalenedisulfonic acid, 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulfophenyl)azo]-, hexasodium salt
2,7-Naphthalenedisulfonic acid, 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:6) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,7-Naphthalenedisulfonic acid, 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:6) are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Hexasodium 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate] (EC: 269-284-3)
2,7-Naphthalenedisulfonic acid, 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulfophenyl)azo]-, hexasodium salt: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - 2,7-Naphthalenedisulfonic acid, 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[(2-sulfophenyl)azo]-, hexasodium salt: Human health tier I assessment
Hazard Classes and CategoriesSkin Sens. 1 (94.5%)
화학 및 산업
용도 및 제조
U.S. Production2023: <50,000 lb
Consumer UsesDye
Industry UsesDye
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
2,7-Naphthalenedisulfonic acid, 4,4'-[1,4-phenylenebis[imino(6-chloro-1,3,5-triazine-4,2-diyl)imino]]bis[5-hydroxy-6-[2-(2-sulfophenyl)diazenyl]-, sodium salt (1:6): ACTIVE
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