3,6-Dimethyl-2,4-dinitroaniline
Basic information
- CAS
6311-52-0- Standard SMILES
Cc1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1N- InChIKey
VOLQVUSPNNDAIX-UHFFFAOYSA-N- Molecular formula
- C8H9N3O4
- Average molar mass
- 211.17 g/mol
- Monoisotopic mass
- 211.05930578
Names & identifiers
- Preferred name
- 3,6-Dimethyl-2,4-dinitroaniline
- IUPAC
- 3,6-dimethyl-2,4-dinitroaniline
- English name
- 3,6-Dimethyl-2,4-dinitroaniline
- Molecular formula
- C8H9N3O4
- Molecular weight
- 211.17
Names & synonyms
3,6-dimethyl-2,4-dinitroaniline6311-52-0MFCD04124612NSC43218SCHEMBL5202894DTXSID40285910VOLQVUSPNNDAIX-UHFFFAOYSA-N3,6-dimethyl-2,4-dinitro-anilineALBB-031748NSC 43218NSC-43218SBB051788
Show more names
Benzenamine, 3,6-dimethyl-2,4-dinitro-
3,6-dimethyl-2,4-dinitrophenylamineAKOS0050815873,6-dimethyl-2,4-dinitro-phenylamine3,6-dimethyl-2.4-dinitro-phenylamineDB-240798CS-0326784(3,6-DIMETHYL-2,4-DINITROPHENYL)AMINEH45897
Database identifiers
- CAS
6311-52-0- PubChem CID
- 238702
- DTXSID
DTXSID40285910
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 272
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 271 · P271-P260-P280
- HS Code
- 2921420090 · 2921420090
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
- hs_code
- 2921420090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P271-P260-P280
Related reactions
5 records
Compound notes
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