Basic information
- CAS
1220-94-6- Standard SMILES
CNc1ccc(N)c2c1C(=O)c1ccccc1C2=O- InChIKey
ICVRBKCRXNVOJC-UHFFFAOYSA-N- Molecular formula
- C15H12N2O2
- Average molar mass
- 252.27 g/mol
- Monoisotopic mass
- 252.08987762
Names & identifiers
- Preferred name
- Disperse Violet 4
- IUPAC
- 1-amino-4-(methylamino)anthracene-9,10-dione
- English name
- 1-amino-4-(methylamino)anthraquinone
- Molecular formula
- C15H12N2O2
- Molecular weight
- 252.27
Names & synonyms
Show more names
Database identifiers
- CAS
1220-94-6- PubChem CID
- 14650
- DTXSID
DTXSID8051621- UNII
- N6G7KN58RR
- EC Number
- 214-944-8
- Nikkaji
- J31.576A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
Experimental & physicochemical properties
Physicochemical properties
- Melting point
- 193 °C · 193°C
- Boiling point
- 395.45 °C · 395.45°C (rough estimate)
- Density
- 1.1562 · 1.1562 (rough estimate)
- refractive index
- 1.5906 · 1.5906 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 2.71 · 2.71±0.20(Predicted)
- Water Solubility
- 580.2 ug/L · 580.2ug/L(25 ºC)
- Cosmetics Ingredients Functions
- HAIR DYEING
- EWG's Food Scores
- 1 · 1-4
- FDA UNII
- 6 G7KN58RR · N6G7KN58RR
- EPA Substance Registry System
- 9 · 9,10-Anthracenedione, 1-amino-4-(methylamino)- (1220-94-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335-H412
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
- TSCA
- TSCA listed
- Toxicity
- 50 · rat,LD50,intraperitoneal,1gm/kg (1000mg/kg),Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 21(12), Pg. 27, 1977.
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 9,10-Anthracenedione, 1-amino-4-(methylamino)-
9,10-Anthracenedione, 1-amino-4-(methylamino)-: 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.
Safety data
- tsca
- TSCA listed
- Toxicity
- rat,LD50,intraperitoneal,1gm/kg (1000mg/kg),Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 21(12), Pg. 27, 1977.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335-H412
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
Preparation methods
Preparation(a) 1,4-Diamino-2,3-dihydroanthraquinonein the presence of sulfuric acid in chlorine, with methanol for methylation;
Suppliers5 total
Related reactions
Compound notes
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