Description

2-Nitrobenzoyl chloride (CAS 610-14-0) is a high-purity organic compound with the molecular formula C₇H₄ClNO₃, widely utilized in synthetic organic chemistry and pharmaceutical research. This yellow to light brown crystalline powder is an aromatic acyl chloride derivative, featuring a nitro group ortho to the reactive carbonyl chloride moiety. Its IUPAC name is 2-nitrobenzoyl chloride, and it is also known by several synonyms including o-nitrobenzoyl chloride.

With a molecular weight of 185.56 g/mol, this compound serves as a versatile electrophilic reagent for introducing the 2-nitrobenzoyl group into target molecules. It is particularly valuable in peptide coupling reactions, heterocyclic synthesis, and as a building block for pharmaceutical intermediates. The compound should be stored under inert conditions due to its moisture sensitivity and reactivity with nucleophiles.

Our product is supplied with comprehensive analytical data including HPLC purity, NMR spectra, and moisture content to ensure consistency for your research applications. Available in quantities from grams to kilograms with customizable packaging options.

Properties

• CAS Number: 610-14-0
• Complexity: 201
• IUPAC Name: 2-nitrobenzoyl chloride
• InChI: InChI=1S/C7H4ClNO3/c8-7(10)5-3-1-2-4-6(5)9(11)12/h1-4H
• InChI Key: BWWHTIHDQBHTHP-UHFFFAOYSA-N
• Exact Mass: 184.9879707
• Molecular Formula: C7H4ClNO3
• Molecular Weight: 185.56
• SMILES: C1=CC=C(C(=C1)C(=O)Cl)[N+](=O)[O-]
• Topological: 62.9
• Monoisotopic Mass: 184.9879707
• Physical Description: O-nitrobenzoyl chloride is a crystalline solid. It is shock sensitive.
• Boiling Point: 527 to 532 °F at 760 mmHg ; 306-309 °F at 18 mmHg
• Melting Point: 77 °F
• Solubility: less than 1 mg/mL at 66 °F
• Synonyms: 2-Nitrobenzoyl chloride, O-NITROBENZOYL CHLORIDE, Benzoyl chloride, 2-nitro-, CCRIS 3135, o-nitrobenzoic acid chloride, EINECS 210-206-4, UNII-86W2G0JA5Q, BRN 0777991, 86W2G0JA5Q, DTXSID4025741, DTXCID505741, NITROBENZOYL CHLORIDE, O-, 4-09-00-01049 (Beilstein Handbook Reference), 2-nitro benzoyl chloride, ORTHO-NITROBENZOYL CHLORIDE, 2-NITROBENZOIC ACID, CHLORIDE, bwwhtihdqbhthp-uhfffaoysa-n, 610-14-0, Benzoyl chloride, o-nitro-, Nitrobenzoyl chloride, 2-Nitrobenzoylchloride, MFCD00007131, 2-nitro-benzoyl chloride, SCHEMBL103644, 2-Nitrobenzoyl chloride, 97%, CHEMBL1897082, Tox21_200340, SBB063100, STL301450, AKOS005259174, FS-3815, NCGC00091764-01, NCGC00091764-02, NCGC00257894-01, CAS-610-14-0, DB-053766, NS00034524, ST51040071, EN300-26497, 2-Nitrobenzoyl chloride, purum, >=97.0% (T), A833004, Q27269768

Application

2-Nitrobenzoyl chloride is primarily employed as an acylating agent in organic synthesis, particularly for the introduction of nitro-substituted benzoyl groups. It finds application in the preparation of amide derivatives and ester compounds through reactions with amines and alcohols respectively. The compound serves as a key intermediate in pharmaceutical research for developing active pharmaceutical ingredients (APIs) and bioactive molecules. Its ortho-nitro group makes it valuable for subsequent reduction to amino derivatives or for participation in nucleophilic aromatic substitution reactions.

Safety and Hazards

GHS Hazard Statements

• H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

Precautionary Statements

• P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501

Hazard Classes and Categories

• Skin Corr. 1B (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.