Basic information
- CAS
11136-49-5- Standard SMILES
Nc1ccc(N=Nc2ccc3cc(S(=O)(=O)[O-])c(N=Nc4ccc(Nc5ccc(N=Nc6c(S(=O)(=O)[O-])cc7ccc(N=Nc8ccc(N)cc8N)cc7c6O)cc5S(=O)(=O)[O-])cc4)c(O)c3c2)c(N)c1.[Na+].[Na+].[Na+]- InChIKey
QTFHTNFVUCUDIR-UHFFFAOYSA-K- Molecular formula
- C44H32N13Na3O11S3
- Average molar mass
- 1,084 g/mol
- Monoisotopic mass
- 1,083.11994525
Overview
structure in first source
Names & identifiers
- Preferred name
- Direct Black 22
- IUPAC
- trisodium;6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[4-[[7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-2-sulfonatoanilino]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
Names & synonyms
6473-13-8Direct black 22C.I. DIRECT BLACK 22DTXSID7027629RefChem:476804DTXCID201509912229-326-3trisodium;6-[(2,4-diaminophenyl)diazenyl]-3-[[4-[4-[[7-[(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfonatonaphthalen-2-yl]diazenyl]-2-sulfonatoanilino]phenyl]diazenyl]-4-hydroxynaphthalene-2-sulfonateSodium 6-((2,4-diaminophenyl)diazenyl)-3-((4-((4-((7-((2,4-diaminophenyl)diazenyl)-1-hydroxy-3-sulfonatonaphthalen-2-yl)diazenyl)-2-sulfonatophenyl)amino)phenyl)diazenyl)-4-hydroxynaphthalene-2-sulfonateMFCD00078136CCRIS 1390EINECS 229-326-3
Show more names
Formal Fast Black BDirect Black 22, tech.SCHEMBL29501255EINECS 280-246-5C.I. Direct Black 22, sodium saltAKOS025310834FD411442-Naphthalenesulfonic acid, 6-((2,4-diaminophenyl)azo)-3-((4-((4-((7-((2,4-diaminophenyl)azo)-1-hydroxy-3-sulfo-2-naphthalenyl)azo)phenyl)amino)-3-sulfophenyl)azo)-4-hydroxy-, trisodium salt
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 452 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 10
- Heavy atoms
- 74
- Formal charge
- 0
- Complexity
- 2,220
Experimental & physicochemical properties
Physical DescriptionDry Powder
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
This chemical does not meet GHS hazard criteria for 26.2% (48 of 183) of reports.
Warning
H319 (66.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 183 reports by companies from 4 notifications to the ECHA C&L Inventory.
Not Classified
Hazard information
Regulatory Information
Chemical: 2-Naphthalenesulfonic acid, 6-[(2,4-diaminophenyl)azo]-3-[[4-[[4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulfo-2-naphthalenyl]azo]phenyl]amino]-3-sulfophenyl]azo]-4-hydroxy-, trisodium salt
2-Naphthalenesulfonic acid, 6-[2-(2,4-diaminophenyl)diazenyl]-3-[2-[4-[[4-[2-[7-[2-(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]phenyl]amino]-3-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:3) is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2-Naphthalenesulfonic acid, 6-[2-(2,4-diaminophenyl)diazenyl]-3-[2-[4-[[4-[2-[7-[2-(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]phenyl]amino]-3-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:3) 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)
2-Naphthalenesulfonic acid, 6-(2,4-diaminophenyl)azo-3-4-4-7-(2,4-diaminophenyl)azo-1-hydroxy-3-sulfo-2-naphthalenylazophenylamino-3-sulfophenylazo-4-hydroxy-, trisodium salt: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Eye Irrit. 2 (66.1%)
Not Classified
Not Classified
Chemistry & industry
Uses & manufacturing
U.S. Production2023: <50,000 lb
Consumer UsesDye
Industry UsesDye
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
2-Naphthalenesulfonic acid, 6-[2-(2,4-diaminophenyl)diazenyl]-3-[2-[4-[[4-[2-[7-[2-(2,4-diaminophenyl)diazenyl]-1-hydroxy-3-sulfo-2-naphthalenyl]diazenyl]phenyl]amino]-3-sulfophenyl]diazenyl]-4-hydroxy-, sodium salt (1:3): ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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