2-chloro-N-cyclopentyl-4-nitrobenzamide
Basic information
- CAS
300829-22-5- Standard SMILES
O=C(NC1CCCC1)c1ccc([N+](=O)[O-])cc1Cl- InChIKey
SWXOJSLQXXNFQE-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O3
- Average molar mass
- 268.69 g/mol
- Monoisotopic mass
- 268.06147
Names & identifiers
- Preferred name
- 2-chloro-N-cyclopentyl-4-nitrobenzamide
- IUPAC
- 2-chloro-N-cyclopentyl-4-nitrobenzamide
- English name
- 2-Chloro-N-cyclopentyl-4-nitrobenzamide
- Molecular formula
- C12H13ClN2O3
- Molecular weight
- 268.7
Names & synonyms
2-chloro-N-cyclopentyl-4-nitrobenzamide300829-22-5Cambridge id 5346233Oprea1_324845STK080216AKOS0003714132-chloro-N-cyclopentyl-4-nitro-benzamideST010838CS-0328047(2-chloro-4-nitrophenyl)-N-cyclopentylcarboxamideSR-01000211141SR-01000211141-1
Show more names
Benzamide, 2-chloro-N-cyclopentyl-4-nitro-
Z30919894F3095-0525
Database identifiers
- CAS
300829-22-5- PubChem CID
- 710872
- EC Number
- 169-539-8
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Boiling point
- 420.5 · 420.5±35.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 12.47 · 12.47±0.20(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, P280, P305+P351+P338, and P337+P317 (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%)
Suppliers
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Related reactions
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Compound notes
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