N-(3-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
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Basic information
- CAS
314284-41-8- Standard SMILES
Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-]- InChIKey
DUJRVEWWPMCTQV-UHFFFAOYSA-N- Molecular formula
- C14H10ClFN2O3
- Average molar mass
- 308.69 g/mol
- Monoisotopic mass
- 308.036398
Names & identifiers
- Preferred name
- N-(3-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
- IUPAC
- N-(3-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
- English name
- N-(3-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide
- Molecular formula
- C14H10ClFN2O3
- Molecular weight
- 308.69
Names & synonyms
N-(3-chloro-4-fluorophenyl)-4-methyl-3-nitrobenzamide314284-41-8Cambridge id 5550760Oprea1_443815SCHEMBL2678974DUJRVEWWPMCTQV-UHFFFAOYSA-NDTXSID001213248STK028948AKOS001605088ST010826AB00088637-01SR-01000407219
Show more names
Benzamide, N-(3-chloro-4-fluorophenyl)-4-methyl-3-nitro-
SR-01000407219-1N-(3-chloro-4-fluorophenyl)-4-methyl-3-nitro benzamideN-(3-chloro-4-fluorophenyl)(4-methyl-3-nitrophenyl)carboxamide
Database identifiers
- CAS
314284-41-8- PubChem CID
- 710855
- DTXSID
DTXSID001213248- EC Number
- 141-042-0
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Boiling point
- 371.2 · 371.2±42.0 °C(Predicted)
- Density
- 1.452 · 1.452±0.06 g/cm3(Predicted)
- pka
- 10.85 · 10.85±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]；H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
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%)；Aquatic Acute 1 (100%)
Suppliers
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Related reactions
2 records
Compound notes
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