Description
2-Nitrobenzamide (CAS 610-15-1) is a high-purity organic compound with the molecular formula C7H6N2O3, widely utilized in pharmaceutical and biochemical research. This yellow crystalline powder is characterized by its nitro group substitution at the ortho position of the benzamide scaffold, making it a valuable intermediate in synthetic chemistry. With a molecular weight of 166.14 g/mol, it exhibits excellent solubility in polar organic solvents such as DMSO and ethanol, while remaining sparingly soluble in water. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied in sealed packaging to maintain stability under recommended storage conditions (2-8°C, dry environment). Ideal for use as a building block in heterocyclic synthesis, enzyme inhibition studies, and medicinal chemistry applications.
Properties
- CAS Number: 610-15-1
- Complexity: 199
- IUPAC Name: 2-nitrobenzamide
- InChI: InChI=1S/C7H6N2O3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H,(H2,8,10)
- InChI Key: KLGQWSOYKYFBTR-UHFFFAOYSA-N
- Exact Mass: 166.03784206
- Molecular Formula: C7H6N2O3
- Molecular Weight: 166.13
- SMILES: C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-]
- Topological: 88.9
- Monoisotopic Mass: 166.03784206
- Physical Description: O-nitrobenzamide is a water solubility – <0.1 mg/mL at 64 °F.
- Boiling Point: 603 °F at 760 mmHg
- Melting Point: 349.9 °F
- Solubility: less than 0.1 mg/mL at 64 °F
- Vapor Pressure: 0.00000809 [mmHg]
- Synonyms: 2-Nitrobenzamide, 610-15-1, O-NITROBENZAMIDE, DTXSID0025733, DTXCID005733, oNitrobenzamide, Benzamide, onitro, Benzamide, 2nitro, 2Carbamoylnitrobenzene, Benzamide, 2nitro (9CI), 210-208-5, Benzamide, o-nitro-, Benzamide, 2-nitro-, 2-Carbamoylnitrobenzene, nitrobenzamide, 2-nitro-benzamide, MFCD00007976, EINECS 210-208-5, NSC 407995, BRN 1950928, nitro-benzamide, NSC407995, Benzmide, 2-nitro-, WLN: ZVR BNW, 2-Nitrobenzamide, 98%, MLS002415764, SCHEMBL115478, SCHEMBL1498146, SCHEMBL7013577, CHEMBL1876019, SCHEMBL10766788, HMS3039B14, Tox21_200805, SBB008239, AKOS003264457, AKOS015889353, FN71268, NSC-407995, NCGC00091242-01, NCGC00091242-02, NCGC00258359-01, AS-56770, CAS-610-15-1, NCI60_003903, SMR001370920, SY106197, DB-053767, N0322, NS00014385, ST45024116, D91678, EN300-370498, AQ-776/40170836, Q63409300, F1084-0243, InChI=1/C7H6N2O3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H,(H2,8,10
Application
2-Nitrobenzamide serves as a key precursor in the synthesis of quinazoline derivatives and other nitrogen-containing heterocycles with potential pharmacological activity. Researchers employ this compound as a model substrate for studying nitroreductase enzymes in bacterial systems. Its electron-withdrawing nitro group makes it valuable for investigating structure-activity relationships in drug design, particularly for antimicrobial and anticancer agents.
Safety and Hazards
GHS Hazard Statements
- H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
- H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal]
- H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]
- H319 (80%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
- H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]
- H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statements
- 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
Hazard Classes and Categories
- Acute Tox. 4 (100%)
- Acute Tox. 4 (20%)
- Acute Tox. 4 (20%)
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