Basic information
- CAS
329939-75-5- Standard SMILES
COc1ccc(Cl)cc1NC(=O)c1ccccc1[N+](=O)[O-]- InChIKey
DKIIZJBAJLPGMZ-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O4
- Average molar mass
- 306.7 g/mol
- Monoisotopic mass
- 306.0407345
Names & identifiers
- Preferred name
- N-(5-chloro-2-methoxyphenyl)-2-nitrobenzamide
- IUPAC
- N-(5-chloro-2-methoxyphenyl)-2-nitrobenzamide
- English name
- N-(5-chloro-2-methoxyphenyl)-2-nitrobenzamide
- Molecular formula
- C14H11ClN2O4
- Molecular weight
- 306.7
Names & synonyms
N-(5-chloro-2-methoxyphenyl)-2-nitrobenzamideOprea1_116467Oprea1_637837STK057182AKOS000671374ST010760Z28184168N-(5-chloro-2-methoxyphenyl)(2-nitrophenyl)carboxamide329939-75-5Benzamide, N-(5-chloro-2-methoxyphenyl)-2-nitro-
Database identifiers
- CAS
329939-75-5- PubChem CID
- 710772
- EC Number
- 169-494-4
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Boiling point
- 392.4 · 392.4±42.0 °C(Predicted)
- Density
- 1.419 · 1.419±0.06 g/cm3(Predicted)
- pka
- 11.14 · 11.14±0.70(Predicted)
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%)
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…