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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