N,N-Dimethyl-2,4-dinitroaniline
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Basic information
- CAS
1670-17-3- Standard SMILES
CN(C)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]- InChIKey
HJFZYZBHIAWDEO-UHFFFAOYSA-N- Molecular formula
- C8H9N3O4
- Average molar mass
- 211.17 g/mol
- Monoisotopic mass
- 211.05930578
Names & identifiers
- Preferred name
- N,N-Dimethyl-2,4-dinitroaniline
- IUPAC
- N,N-dimethyl-2,4-dinitroaniline
- English name
- N,N-Dimethyl-2,4-dinitroaniline.
- Molecular formula
- C8H9N3O4
- Molecular weight
- 211.17
Names & synonyms
N,N-Dimethyl-2,4-dinitroaniline1670-17-32,4-Dinitro-N,N-dimethylanilineAniline, N,N-dimethyl-2,4-dinitro-(2,4-dinitrophenyl)dimethylamineBenzenamine, N,N-dimethyl-2,4-dinitro-1-N-2,4-DinitrophenyldimethylamineUNII-9LUZ7HQ82B9LUZ7HQ82BN,N-DIMETHYL-2,4-DINITROBENZENAMINENSC 116396NSC-116396
Show more names
N,N-Dimethyl-2,4-dinitroaniline.(2,4-dinitrophenyl)-dimethyl-amineAniline, N,N-dimethyl-2,4-dinitro- (8CI)Benzenamine, N,N-dimethyl-2,4-dinitro- (9CI)
AI3-62592DTXSID809372641-(DIMETHYLAMINO)-2,4-DINITROBENZENERefChem:161232DTXCID801365835Aniline, N,N-dimethyl-2,4-dinitro-(8CI)Benzenamine, N,N-dimethyl-2,4-dinitro-(9CI)MFCD00452305
Database identifiers
- CAS
1670-17-3- PubChem CID
- 97340
- DTXSID
DTXSID80937264- UNII
- 9LUZ7HQ82B
- Nikkaji
- J47.487H
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 94.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 258
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 178 °C · 178 °C
- Boiling point
- 350.85 °C · 350.85°C (rough estimate)
- Density
- 1.4271 · 1.4271 (rough estimate)
- refractive index
- 1.74 · 1.7400 (estimate)
- storage temp.
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- solubility
- Chloroform (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- pka
- -1.71 · -1.71±0.30(Predicted)
- color
- Yellow to Orange
- FDA UNII
- 9 LUZ7HQ82B · 9LUZ7HQ82B
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Upstream & downstream products
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