4-Bromo-3-nitrobenzamide
Basic information
- CAS
879-93-6- Standard SMILES
NC(=O)c1ccc(Br)c([N+](=O)[O-])c1- InChIKey
XEXLVJPVLGTROT-UHFFFAOYSA-N- Molecular formula
- C7H5BrN2O3
- Average molar mass
- 245.03 g/mol
- Monoisotopic mass
- 243.94835
Names & identifiers
- Preferred name
- 4-Bromo-3-nitrobenzamide
- IUPAC
- 4-bromo-3-nitrobenzamide
- English name
- 4-BroMo-3-nitrobenzaMide
- Molecular formula
- C7H5BrN2O3
- Molecular weight
- 245.03
Names & synonyms
4-bromo-3-nitrobenzamide879-93-6DTXSID20359320RefChem:290892DTXCID60310374MFCD00462259Benzamide, 4-bromo-3-nitro-4-bromo-3-nitro-benzamideSCHEMBL28604140STK388462AKOS003646362SB77052
Show more names
-BroMo-3-nitrobenzaMide
BS-25841CS-0210281ST45135954H52869AG-205/11956980F211871
Database identifiers
- CAS
879-93-6- PubChem CID
- 958656
- DTXSID
DTXSID20359320- Nikkaji
- J851.938B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 297.7 · 297.7±25.0 °C(Predicted)
- Density
- 1.799 · 1.799±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 14.58 · 14.58±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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