4',5'-Dimethyl-2'-nitroacetanilide
Basic information
- CAS
6970-77-0- Standard SMILES
CC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-]- InChIKey
DNUIVCQNUPJXIA-UHFFFAOYSA-N- Molecular formula
- C10H12N2O3
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.08479225
Names & identifiers
- Preferred name
- 4',5'-Dimethyl-2'-nitroacetanilide
- IUPAC
- N-(4,5-dimethyl-2-nitrophenyl)acetamide
- English name
- N-(4,5-Dimethyl-2-nitro-phenyl)-acetamide
- Molecular formula
- C10H12N2O3
- Molecular weight
- 208.21
Names & synonyms
4',5'-dimethyl-2'-nitroacetanilideRefChem:505873654-685-1N-(4,5-Dimethyl-2-nitrophenyl)acetamide6970-77-0N-(4,5-Dimethyl-2-Nitro-Phenyl)-AcetamideNSC62092SCHEMBL14903460SCHEMBL29725300DTXSID50289585DNUIVCQNUPJXIA-UHFFFAOYSA-NMFCD00024536
Show more names
N-(4,5-Dimethyl-2- nitrophenyl)Acetamide, N-(4,5-dimethyl-2-nitrophenyl)-
NSC-62092AKOS005264449AS-94099N-(4,5-dimethyl-2-nitro-phenyl)acetamideCS-0237540N-(4,5-Dimethyl-2-nitrophenyl)acetamide #Acetamide, N-(3,4-dimethyl-6-nitrophenyl)-EN300-18511
Database identifiers
- CAS
6970-77-0- PubChem CID
- 247472
- DTXSID
DTXSID50289585- EC Number
- 654-685-1
Properties
Computed structural properties
- XLogP
- 1.9
- 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
Physicochemical properties
- Melting point
- 108 °C · 108 °C(Solv: ethanol (64-17-5))
- Boiling point
- 407.5 · 407.5±33.0 °C(Predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Predicted)
- pka
- 13.84 · 13.84±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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