Basic information
- CAS
329939-84-6- Standard SMILES
O=C(NC1CCCC1)c1cc([N+](=O)[O-])ccc1Cl- InChIKey
DQUHUCPROQJYBH-UHFFFAOYSA-N- Molecular formula
- C12H13ClN2O3
- Average molar mass
- 268.69 g/mol
- Monoisotopic mass
- 268.06147
Names & identifiers
- Preferred name
- 2-chloro-N-cyclopentyl-5-nitrobenzamide
- IUPAC
- 2-chloro-N-cyclopentyl-5-nitrobenzamide
- English name
- 2-chloro-N-cyclopentyl-5-nitrobenzamide
- Molecular formula
- C12H13ClN2O3
- Molecular weight
- 268.7
Names & synonyms
2-chloro-N-cyclopentyl-5-nitrobenzamide329939-84-6Oprea1_651837DTXSID40351826STK085156AKOS000151479ST010778DB-260949(2-chloro-5-nitrophenyl)-N-cyclopentylcarboxamideSR-01000215996SR-01000215996-1Z30919841
Show more names
Benzamide, 2-chloro-N-cyclopentyl-5-nitro-
Database identifiers
- CAS
329939-84-6- PubChem CID
- 710801
- DTXSID
DTXSID40351826- EC Number
- 169-506-8
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
- 409.8 · 409.8±35.0 °C(Predicted)
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- pka
- 12.84 · 12.84±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%)
Chemistry & industry
Suppliers1 total
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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