C.I. Direct Blue 75, tetrasodium salt

HCID 80905

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Basic information

CAS: 6428-60-0
Standard SMILES: O=S(=O)([O-])c1cccc(N=Nc2ccc(N=Nc3ccc(N=Nc4c(S(=O)(=O)[O-])cc5cc(Nc6ccccc6)ccc5c4O)c4ccc(S(=O)(=O)[O-])cc34)c3ccc(S(=O)(=O)[O-])cc23)c1.[Na+].[Na+].[Na+].[Na+]
InChIKey: CTIIFDITHFRQBX-UHFFFAOYSA-J
Molecular formula: C42H25N7Na4O13S4
Average molar mass: 1,055.9 g/mol
Monoisotopic mass: 1,054.9983957

Names & identifiers

Preferred name: C.I. Direct Blue 75, tetrasodium salt
IUPAC: tetrasodium;7-anilino-4-hydroxy-3-[[6-sulfonato-4-[[6-sulfonato-4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonate
English name: 2-Naphthalenesulfonic acid, 5-[[1-hydroxy-6-(phenylamino) -3-sulfo-2-naphthalenyl]azo]-8-[[6-sulfo-4-[(3 -sulfophenyl)azo]-1-naphthalenyl]azo]-, sodium salt
Molecular formula: C42H29N7O13S4.xNa
Molecular weight: 0

Names & synonyms

6428-60-0C.I. Direct Blue 75, tetrasodium saltC.I. Direct blue 75tetrasodium;7-anilino-4-hydroxy-3-[[6-sulfonato-4-[[6-sulfonato-4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl]diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonateTetrasodium 5-[[1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl]azo]-8-[[6-sulphonato-4-[(3-sulphonatophenyl)azo]naphthyl]azo]naphthalene-2-sulphonateTetrasodium 5-((1-hydroxy-6-(phenylamino)-3-sulphonato-2-naphthyl)azo)-8-((6-sulphonato-4-((3-sulphonatophenyl)azo)naphthyl)azo)naphthalene-2-sulphonateSCHEMBL29407107DTXSID30889547EINECS 229-211-8DB-234042NS000472612-Naphthalenesulfonic acid, 5-((1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)azo)-8-((6-sulfo-4-((3-sulfophenyl)azo)-1-naphthalenyl)azo)-, tetrasodium salt

Show more names

2-Naphthalenesulfonic acid, 5-[[1-hydroxy-6-(phenylamino) -3-sulfo-2-naphthalenyl]azo]-8-[[6-sulfo-4-[(3 -sulfophenyl)azo]-1-naphthalenyl]azo]-, sodium salt2-Naphthalenesulfonic acid, 5-(2-(1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl)-8-(2-(6-sulfo-4-(2-(3-sulfophenyl)diazenyl)-1-naphthalenyl)diazenyl)-, sodium salt (1:)

2-Naphthalenesulfonic acid, 5-(2-(1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl)-8-(2-(6-sulfo-4-(2-(3-sulfophenyl)diazenyl)-1-naphthalenyl)diazenyl)-, sodium salt (1:?)2-Naphthalenesulfonic acid, 5-(2-(1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl)diazenyl)-8-(2-(6-sulfo-4-(2-(3-sulfophenyl)diazenyl)-1-naphthalenyl)diazenyl)-, sodium salt (1:4)7-(Phenylamino)-3-((4-((4-((3-sulfophenyl)azo)-6-sulfo-1-naphthalenyl)azo)-6-sulfo-1-naphthalenyl)azo)-4-hydroxy-2-naphthalenesulfonic acid, sodium saltTetrasodium 7-anilino-4-hydroxy-3-{[6-sulfonato-4-({6-sulfonato-4-[(3-sulfonatophenyl)diazenyl]naphthalen-1-yl}diazenyl)naphthalen-1-yl]diazenyl}naphthalene-2-sulfonate

Database identifiers

CAS: 6428-60-0、72245-54-6
PubChem CID: 80905
DTXSID: DTXSID30889547
EC Number: 229-211-8

Properties

Computed structural properties

Topological polar surface area: 369 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 20
Rotatable bonds: 8
Heavy atoms: 70
Formal charge: 0
Complexity: 2,170

Physicochemical properties

EPA Substance Registry System: 2 · 2-Naphthalenesulfonic acid, 5-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-8-[[6-sulfo-4-[(3-sulfophenyl)azo]-1-naphthalenyl]azo]-, sodium salt (72245-54-6)
TSCA: TSCA listed

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: 2-Naphthalenesulfonic acid, 5-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-8-[[6-sulfo-4-[(3-sulfophenyl)azo]-1-naphthalenyl]azo]-, tetrasodium salt

Other Safety InformationIMAP assessments - 2-Naphthalenesulfonic acid, 5-[[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]azo]-8-[[6-sulfo-4-[(3-sulfophenyl)azo]-1-naphthalenyl]azo]-, tetrasodium salt: Human health tier I assessment

Hazard Classes and CategoriesNot Classified

Safety data

tsca: TSCA listed

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Naphthalenesulfonic acid, 5-[2-[1-hydroxy-6-(phenylamino)-3-sulfo-2-naphthalenyl]diazenyl]-8-[2-[6-sulfo-4-[2-(3-sulfophenyl)diazenyl]-1-naphthalenyl]diazenyl]-, sodium salt (1:4): ACTIVE

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Compound notes

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