N-(2,4-dimethyl-6-nitrophenyl)acetamide
Basic information
- CAS
606-38-2- Standard SMILES
CC(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-]- InChIKey
PXXMBAOADHXJSE-UHFFFAOYSA-N- Molecular formula
- C10H12N2O3
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.08479224
Names & identifiers
- Preferred name
- N-(2,4-dimethyl-6-nitrophenyl)acetamide
- IUPAC
- N-(2,4-dimethyl-6-nitrophenyl)acetamide
- English name
- N-(2,4-dimethyl-6-nitro-phenyl)acetamide
- Molecular formula
- C10H12N2O3
- Molecular weight
- 208.21
Names & synonyms
606-38-2N-(2,4-dimethyl-6-nitrophenyl)acetamideDTXSID90277784RefChem:360148DTXCID802289424-Acetamido-5-nitro-m-xyleneMFCD00157615Acetamide, N-(2,4-dimethyl-6-nitrophenyl)-N-(2,4-DIMETHYL-6-NITRO-PHENYL)ACETAMIDENSC4159Cambridge id 5211945Oprea1_425762
Show more names
ST5447281ZINC044041692,4-diMethyl-6-nitroacetanilide4',6'-DIMETHYL-2'-NITROACETANILIDE4',6'-DIMETHYL-2'-NITROACETANILIDE
SCHEMBL3635385PXXMBAOADHXJSE-UHFFFAOYSA-N2,4-Dimethyl-6-nitro acetanilideALBB-025937STL068918AKOS000504279SB76815AS-31360
Database identifiers
- CAS
606-38-2- PubChem CID
- 220810
- DTXSID
DTXSID90277784- Nikkaji
- J1.603.322G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 262
Experimental & physicochemical properties
LogP1.18
Physicochemical properties
- Melting point
- 172 °C · 172 °C
- Boiling point
- 382.8 · 382.8±30.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- pka
- 13.85 · 13.85±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses4-Acetamido-5-nitro-m-xylene is a useful intermediate for organic synthesis.
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Related reactions
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Compound notes
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