4-Nitro-2',4',6'-trimethylbenzanilide
Basic information
- CAS
72725-85-0- Standard SMILES
Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1- InChIKey
QAJMOBAKPOPSBP-UHFFFAOYSA-N- Molecular formula
- C16H16N2O3
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.11609238
Names & identifiers
- Preferred name
- 4-Nitro-2',4',6'-trimethylbenzanilide
- IUPAC
- 4-nitro-N-(2,4,6-trimethylphenyl)benzamide
Names & synonyms
4-NITRO-2',4',6'-TRIMETHYLBENZANILIDERefChem:52584772725-85-0666-034-9Oprea1_800311SCHEMBL18585517AKOS002984079
Database identifiers
- CAS
72725-85-0- PubChem CID
- 904486
- EC Number
- 666-034-9
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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