Description

1,2-Benzenedicarbonitrile, 3-nitro- (CAS No. 51762-67-5), also known as 3-Nitrophthalonitrile, is a high-purity organic compound with the molecular formula C₈H₃N₃O₂. This fine chemical is widely used in research and industrial applications due to its versatile reactivity as a nitrile-functionalized aromatic compound. With a molecular weight of 173.13 g/mol, it is characterized by its pale yellow to off-white crystalline appearance and is soluble in common organic solvents such as DMSO, DMF, and acetone. This product is rigorously tested for purity (typically ≥98% by HPLC or GC analysis) and is ideal for use in organic synthesis, pharmaceutical intermediates, and advanced material research. It is packaged under inert conditions to ensure stability and longevity.

Properties

• CAS Number: 51762-67-5
• Complexity: 302
• IUPAC Name: 3-nitrophthalonitrile
• InChI: InChI=1S/C8H3N3O2/c9-4-6-2-1-3-8(11(12)13)7(6)5-10/h1-3H
• InChI Key: UZJZIZFCQFZDHP-UHFFFAOYSA-N
• Exact Mass: 173.022526347
• Molecular Formula: C8H3N3O2
• Molecular Weight: 173.13
• SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])C#N)C#N
• Topological: 93.4
• Monoisotopic Mass: 173.022526347
• Synonyms: 3-Nitrophthalonitrile, 51762-67-5, 2,3-Dicyanonitrobenzene, 1,2-Benzenedicarbonitrile, 3-nitro-, 3-Nitrophthalodinitrile, 3-Nitro-1,2-benzenedicarbonitrile, DTXSID5073531, DTXCID5041069, 450-650-8, 610-727-0, 3-nitrobenzene-1,2-dicarbonitrile, 1,2-Dicyano-3-nitrobenzene, MFCD00191558, 3-Nitro-1,2-dicyanobenzene, nitrophthalonitrile, 3-nitro-phthalonitrile, Cambridge id 5127932, 3-Nitro-o-benzene dinitrile, 3-Nitrophthalonitrile, 99%, SCHEMBL220318, SCHEMBL17347340, SCHEMBL28186023, SBB059250, AKOS000813810, AKOS034830330, CS-W017559, FN00922, PS-5048, AC-23691, SY012041, DB-006510, N0566, NS00114759, ST50405568, EN300-240230, O11040, 3-Nitrophthalonitrile;3-Nitro-1,2-dicyanobenzene, 3-Nitrobenzene-1,2-dicarbonitrile;3-Nitrophthalonitrile, F0017-1930

1,2-Benzenedicarbonitrile, 3-nitro- is primarily used as a key intermediate in the synthesis of phthalocyanine dyes and pigments, which are essential for optoelectronic applications. It also serves as a precursor in the development of advanced polymers and coordination complexes for catalytic processes. Researchers leverage its nitro and nitrile functionalities for heterocyclic compound synthesis in medicinal chemistry. Additionally, it finds utility in materials science for designing functionalized aromatic frameworks.

Safety and Hazards

GHS Hazard Statements

• H302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (97.9%): 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (97.9%)
• Skin Irrit. 2 (97.9%)
• Eye Irrit. 2 (97.9%)
• STOT SE 3 (97.9%)

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