C.I. Direct Black 80
Basic information
- CAS
39384-51-5- Standard SMILES
Nc1ccc2cc(S(=O)(=O)[O-])c(N=Nc3ccc4cc(S(=O)(=O)[O-])c(N=Nc5ccc(N=Nc6ccc(N)c7ccc(S(=O)(=O)[O-])cc67)cc5)c(O)c4c3)c(O)c2c1.[Na+].[Na+].[Na+]- InChIKey
ZHFRUBUQJRJWPO-UHFFFAOYSA-K- Molecular formula
- C36H23N8Na3O11S3
- Average molar mass
- 908.8 g/mol
- Monoisotopic mass
- 908.03414995
Overview
C.i. direct black 80 is a bluish-black to black powder. Odorless. (NTP, 1992)
Names & identifiers
- Preferred name
- C.I. Direct Black 80
- IUPAC
- trisodium;6-amino-3-[[7-[[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]phenyl]diazenyl]-8-hydroxy-6-sulfonatonaphthalen-2-yl]diazenyl]-4-hydroxynaphthalene-2-sulfonate
- English name
- Direct Black 80
- Molecular formula
- C36H23N8O11S3.3Na
- Molecular weight
- 908.791
Names & synonyms
C.I. Direct Black 80EINECS 232-322-42-Naphthalenesulfonic acid, 6-((7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo)-3-((4-((4-amino-6(or 7)-sulfo-1-naphthalenyl)azo)phenyl)azo)-4-hydroxy-, trisodium saltTrisodium 6-((7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo)-3-((4-((4-amino-6(or 7)-sulphonatonaphthyl)azo)phenyl)azo)-4-hydroxynaphthalene-2-sulphonate2-Naphthalenesulfonic acid, 6-(2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl)-3-(2-(4-(2-(4-amino-6(or 7)-sulfo-1-naphthalenyl)diazenyl)phenyl)diazenyl)-4-hydroxy-, sodium salt (1:3)2-Naphthalenesulfonic acid, 6-[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-3-[[4-[[4-amino-6(or 7)-sulfo-1-naphthalenyl]azo]phenyl]azo]-4-hydroxy-, trisodium salt2-Naphthalenesulfonic acid, 6-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-3-[2-[4-[2-[4-amino-6(or 7)-sulfo-1-naphthalenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:3)Trisodium 6-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3-[[4-[[4-amino-6(or 7)-sulphonatonaphthyl]azo]phenyl]azo]-4-hydroxynaphthalene-2-sulphonatePHENAZO BLACK OBRefChem:572257
Properties
Computed structural properties
- Topological polar surface area
- 363 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 6
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,830
Experimental & physicochemical properties
Solubility1 to 10 mg/mL at 64 °F (NTP, 1992)
Melting Pointgreater than 572 °F (NTP, 1992)
Physical Description
C.i. direct black 80 is a bluish-black to black powder. Odorless. (NTP, 1992)
Dry Powder
Physicochemical properties
- Stability
- Stable. Incompatible with oxidizing and reducing agents.
- EPA Substance Registry System
- 80 · C.I. Direct Black 80 (8003-69-8)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- 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
This chemical does not meet GHS hazard criteria for 98% (148 of 151) of all reports.
Not Classified
Aggregated GHS information provided per 151 reports by companies from 4 notifications to the ECHA C&L Inventory.
Not Classified
Hazard information
Regulatory Information
Chemical: 2-Naphthalenesulfonic acid, 6-[(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo]-3-[[4-[[4-amino-6(or 7)-sulfo-1-naphthalenyl]azo]phenyl]azo]-4-hydroxy-, trisodium salt
2-Naphthalenesulfonic acid, 6-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-3-[2-[4-[2-[4-amino-6(or 7)-sulfo-1-naphthalenyl]diazenyl]phenyl]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-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-3-[2-[4-[2-[4-amino-6(or 7)-sulfo-1-naphthalenyl]diazenyl]phenyl]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-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)azo-3-4-4-amino-6(or 7)-sulfo-1-naphthalenylazophenylazo-4-hydroxy-, trisodium salt: 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.
Fire HazardsFlash point data for this chemical are not available; however, it is probably combustible. Dust may form explosive mixtures with air. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes of nitrogen oxides. (NTP, 1992)
Reactive GroupAzo, Diazo, Azido, Hydrazine, and Azide Compounds
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesDye
Industry UsesDye
General Manufacturing Information
Synthetic Dye and Pigment Manufacturing
2-Naphthalenesulfonic acid, 6-[2-(7-amino-1-hydroxy-3-sulfo-2-naphthalenyl)diazenyl]-3-[2-[4-[2-[4-amino-6(or 7)-sulfo-1-naphthalenyl]diazenyl]phenyl]diazenyl]-4-hydroxy-, sodium salt (1:3): ACTIVE
Applications
UsesDirect Black 80 is mainly used for dyeing cellulosic fibers such as cotton and linen, and can also be used to dye silk in acetic acid or formic acid baths. When dyed in the same bath as other fibers, silk and wool are dyed light colors, acetate fibers do not stain, and nylon has slight staining; it can also be used for coloring paper and leather.
General DescriptionBluish-black to black powder. Odorless.
Preparation methods
PreparationN-(4-aminophenyl)acetamide diazo, The reduction of the conditions with6-Amino-4-hydroxynaphthalene-2-sulfonic acidcoupling, acylation, three amino nitrogen, which then double first and 5-Aminonaphthalene-2-sulfonic acid and 8-Aminonaphthalene-2-sulfonic acid, again in three alkaline conditions and 6-Amino-4-hydroxynaphthalene-2-sulfonic acid coupling.
Upstream & downstream products
Upstream raw materials
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…