Basic information
- CAS
961-68-2- Standard SMILES
O=[N+]([O-])c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1- InChIKey
RHTVQEPJVKUMPI-UHFFFAOYSA-N- Molecular formula
- C12H9N3O4
- Average molar mass
- 259.22 g/mol
- Monoisotopic mass
- 259.05930578
Names & identifiers
- Preferred name
- Benzenamine, 2,4-dinitro-N-phenyl-
- IUPAC
- 2,4-dinitro-N-phenylaniline
- English name
- 2,4-Dinitrodiphenylamine
- Molecular formula
- C12H9N3O4
- Molecular weight
- 259.22
Names & synonyms
2,4-Dinitrodiphenylamine2,4-Dinitro-N-phenylaniline961-68-2Supracet Yellow 3GSerisol Yellow 2GC.I. Disperse Yellow 14o,p-DinitrodiphenylamineAcetoquinone Yellow 5JZN-Phenyl-2,4-dinitroanilineN-(2,4-Dinitrophenyl)anilineBenzenamine, 2,4-dinitro-N-phenyl-Diphenylamine, 2,4-dinitro-
Show more names
disperseyellow14supracetyellow3Gacetochinongelb5JZ2,4-DinitrodiphenylaBifeprunox Impurity 67
NSC 6150C.I. 10340EINECS 213-508-4BRN 1996954AI3-02914DTXSID70613544-12-00-01692 (Beilstein Handbook Reference)o,pDinitrodiphenylamine
Database identifiers
- CAS
961-68-2- PubChem CID
- 13748
- DTXSID
DTXSID7061354- ChEMBL
CHEMBL4443557- EC Number
- 213-508-4
- Nikkaji
- J37.586A
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitroanilines
SpringerMaterials PropertiesBoiling point
LogP4.55
Physical DescriptionPowder; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 159 · 159-161 °C(lit.)
- Boiling point
- 402.47 °C · 402.47°C (rough estimate)
- Density
- 1.345 · 1.3450 (rough estimate)
- refractive index
- 1.57 · 1.5700 (estimate)
- solubility
- 25 mg/mL, · acetone: soluble25mg/mL, clear, orange to red
- form
- powder to crystal
- pka
- -4.93 · -4.93±0.10(Predicted)
- color
- Light yellow to Brown
- Water Solubility
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
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationChemical: Benzenamine, 2,4-dinitro-N-phenyl-
Hazards SummaryIntravenous LD50 (mouse) = 180 mg/kg; [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See 2-Nitrodiphenylamine and 4-Nitrodiphenylamine.
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- JJ8825000
- hs_code
- 29214400
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-37/39
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P501-P261-P271-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P304+P340+P312-P403+P233-P405
Chemistry & industry
Uses & manufacturing
Household ProductsInformation on 9 consumer products that contain C.I. 10340 in the following categories is provided:
General Manufacturing InformationBenzenamine, 2,4-dinitro-N-phenyl-: ACTIVE
Preparation methods
PreparationAniline and 1-Chloro-2,4-dinitrobenzenecondensation
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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