2-Nitrobenzamide
Basic information
- CAS
610-15-1- Standard SMILES
NC(=O)c1ccccc1[N+](=O)[O-]- InChIKey
KLGQWSOYKYFBTR-UHFFFAOYSA-N- Molecular formula
- C7H6N2O3
- Average molar mass
- 166.13 g/mol
- Monoisotopic mass
- 166.03784206
Overview
O-nitrobenzamide is a water solubility - <0.1 mg/mL at 64 °F. (NTP, 1992)
Names & identifiers
- Preferred name
- 2-Nitrobenzamide
- IUPAC
- 2-nitrobenzamide
- English name
- 2-Nitrobenzamide
- Molecular formula
- C7H6N2O3
- Molecular weight
- 166.13
Names & synonyms
2-Nitrobenzamide610-15-1O-NITROBENZAMIDEDTXSID0025733DTXCID005733oNitrobenzamideBenzamide, onitroBenzamide, 2nitro2CarbamoylnitrobenzeneRefChem:477186Benzamide, 2nitro (9CI)210-208-5
Show more names
NSC 4079952-nitro-benzamido-nitro-benzamidBenzmide, 2-nitro-Benzamide,2-nitro-TIMTEC-BB SBB0082392-Nitrobenzamide>
Benzamide, o-nitro-Benzamide, 2-nitro-2-CarbamoylnitrobenzeneMFCD00007976nitrobenzamide2-nitro-benzamidenitro-benzamideNSC407995
Database identifiers
- CAS
610-15-1- PubChem CID
- 11876
- DTXSID
DTXSID0025733- ChEMBL
CHEMBL1876019- EC Number
- 210-208-5
- Nikkaji
- J54.489B
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 88.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 199
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials PropertiesChemical shift
LogP-0.12
Solubilityless than 0.1 mg/mL at 64 °F (NTP, 1992)
Boiling Point603 °F at 760 mmHg (NTP, 1992)
Melting Point349.9 °F (NTP, 1992)
Vapor Pressure0.00000809 [mmHg]
Physical Description
O-nitrobenzamide is a water solubility - <0.1 mg/mL at 64 °F. (NTP, 1992)
Partially soluble in water (1.62 g/L at 25 deg C); [ChemIDplus] Tan crystalline powder; Soluble in water; [MSDSonline]
Physicochemical properties
- Melting point
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Fire HazardsFlash point data for this chemical are not available, however it is probably combustible. (NTP, 1992)
Hazards SummaryAn irritant; [MSDSonline]
Reactive GroupAmides and Imides
Reactivity Profile
A nitrated amide. Organic amides/imides react with azo and diazo compounds to generate toxic gases. Flammable gases are formed by the reaction of organic amides/imides with strong reducing agents. Amides are very weak bases (weaker than water). Imides are less basic yet and in fact react with strong bases to form salts. That is, they can react as acids. Mixing amides with dehydrating agents such as P2O5 or SOCl2 generates the corresponding nitrile. The combustion of these compounds generates mixed oxides of nitrogen (NOx).
Air and Water ReactionsInsoluble in water.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety & protection
Chemistry & industry
Applications
Uses2-Nitrobenzamide was used in the synthesis of novel fluorogenic chemosensors based on urea derivative of 2-(2′-aminophenyl)-4-phenylthiazole. It was also used in the synthesis of quinazoline-2,4(1H,3H)-diones, an important class of pharmaceutical intermediates.
General DescriptionWater solubility - <0.1 mg/mL at 64°F.
Upstream & downstream products
Downstream products
Related reactions
19 records
Compound notes
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