C.I. Sulphur Blue 7
Basic information
- CAS
1327-57-7- Standard SMILES
Cc1cc(Nc2ccc(O)cc2)ccc1N- InChIKey
JGXPJGJSAMZYBO-UHFFFAOYSA-N- Molecular formula
- C13H14N2O
- Average molar mass
- 214.26 g/mol
- Monoisotopic mass
- 214.11061307
Overview
4-amino-4'-hydroxy-3-methyldiphenylamine is a black crystalline solid. (NTP, 1992)
Names & identifiers
- Preferred name
- C.I. Sulphur Blue 7
- IUPAC
- 4-(4-amino-3-methylanilino)phenol
- English name
- 4-[(4-amino-m-tolyl)amino]phenol
- Molecular formula
- C13H14N2O
- Molecular weight
- 214.26
Names & synonyms
Ursol Blue Grey OM6219-89-24-Amino-4'-hydroxy-3-methyldiphenylamineKayaku Sulphur Blue RPThional Indone Blue RNPhenol, p-(4-amino-m-toluidino)-4-((4-Amino-3-methylphenyl)amino)phenol1327-57-7C.I. Sulphur Blue 73'-Methyl-4'-amino-4-hydroxydiphenylamineC.I. 76565NSC 37093
Show more names
C.I.765654-[(4-amino-m-tolyl)amino]phenolPhenol, p-(4-amino-m-toluidino).4-(4-AMINO-META-TOLUIDINO)-PHENOL4-(4-amino-3-methylphenylamino)phenol
CCRIS 5960p-(4-Amino-m-toluidino)phenolp-(4-Amino-3-toluidino)phenolEINECS 228-294-87YB07WHF8NPhenol, 4-((4-amino-3-methylphenyl)amino)-BRN 3531234Phenol, 4-[(4-amino-3-methylphenyl)amino]-
Database identifiers
- CAS
1327-57-7、6219-89-2、85586-03-4- PubChem CID
- 22586
- DTXSID
DTXSID9024483- ChEMBL
CHEMBL1430204- UNII
- 7YB07WHF8N
- EC Number
- 215-483-5、228-294-8、617-726-4
- Nikkaji
- J70.172F
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
Chemical ClassesDyes -> Other Dyes
Solubilityless than 1 mg/mL at 68.9 °F (NTP, 1992)
Melting Point320 °F (NTP, 1992)
Physical Description4-amino-4'-hydroxy-3-methyldiphenylamine is a black crystalline solid. (NTP, 1992)
Physicochemical properties
- Boiling point
- 354.4 °C · 354.4°C (rough estimate)
- Density
- 1.085 · 1.0850 (rough estimate)
- refractive index
- 1.645 · 1.6450 (estimate)
- pka
- 10.74 · 10.74±0.26(Predicted)
- FDA UNII
- 7 YB07WHF8N · 7YB07WHF8N
- EPA Substance Registry System
- p-(4-Amino-3-toluidino)phenol (6219-89-2)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
This chemical does not meet GHS hazard criteria for 100% (7 of 7) of all reports.
Not Classified
Hazard information
Regulatory InformationChemical: C.I. Sulfur Blue 7
Fire HazardsFlash point data concerning this compound are not available, however, it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: When heated to decomposition this compound emits toxic fumes. (NTP, 1992)
Reactive GroupPhenols and Cresols
Reactivity Profile4-AMINO-4'-HYDROXY-3-METHYLDIPHENYLAMINE may react with strong oxidizers, mineral acids and bases. (NTP, 1992)
Air and Water ReactionsThis chemical is sensitive to prolonged exposure to air. Insoluble in water.
Hazard Classes and Categories
Acute Tox. 4 (100%)
Not Classified
Safety & protection
Chemistry & industry
Uses & manufacturing
Uses
Used as dye for cellulose, leather, paper, and direct printing; [HSDB]
Pulp and Paper Processing [Category: Industry]
DYE FOR CELLULOSE, LEATHER & PAPER
DYE FOR DIRECT PRINTING
U.S. Exports
(1979) No Data
(1981) No Data
U.S. Imports
(1979) 2.50X10+4 GRAMS (PRINCPL CUSTMS DISTS)
(1981) No Data
U.S. Production
(1979) PROBABLY GREATER THAN 2.27X10+6 GRAMS
(1981) PROBABLY GREATER THAN 2.27X10+6 GRAMS
Consumption PatternsESSENTIALLY 100% AS A DYE
Methods of ManufacturingCONDENSATION OF O-TOLUIDINE WITH P-NITROSOPHENOL IN SULFURIC ACID FOLLOWED BY REDUCTION WITH SODIUM TETRASULFIDE & HEATING OF THE RESULTING INDOPHENOL WITH AQUEOUS SODIUM POLYSULFIDE
General Manufacturing Information
C.I. Sulphur Blue 7: ACTIVE
Phenol, 4-[(4-amino-3-methylphenyl)amino]-: INACTIVE
Applications
General DescriptionBlack crystalline solid.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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