Basic information
- CAS
329940-66-1- Standard SMILES
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1C- InChIKey
RYAOWQFQAVOYTF-UHFFFAOYSA-N- Molecular formula
- C15H13ClN2O3
- Average molar mass
- 304.73 g/mol
- Monoisotopic mass
- 304.06147
Names & identifiers
- Preferred name
- 2-chloro-N-(3,4-dimethylphenyl)-4-nitrobenzamide
- IUPAC
- 2-chloro-N-(3,4-dimethylphenyl)-4-nitrobenzamide
Names & synonyms
2-chloro-N-(3,4-dimethylphenyl)-4-nitrobenzamide329940-66-1starbld0006302Cambridge id 5352142Oprea1_499338SCHEMBL12443206DTXSID701237174AKOS003860467ST010839AB00082324-01N-(3,4-dimethylphenyl)(2-chloro-4-nitrophenyl)carboxamide
Database identifiers
- CAS
329940-66-1- PubChem CID
- 710875
- DTXSID
DTXSID701237174- EC Number
- 141-044-1
Properties
Computed structural properties
- XLogP
- 3.9
- 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
- 399
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
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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