Description

3,5-Dinitrobenzonitrile (CAS No. 4110-35-4) is a high-purity nitroaromatic compound with the molecular formula C₇H₃N₃O₄. This yellow crystalline powder is widely utilized in organic synthesis, pharmaceutical research, and material science due to its reactive nitro and cyano functional groups. With an IUPAC name of 3,5-dinitrobenzonitrile, it is characterized by its excellent stability and compatibility with various chemical transformations. Our product is rigorously tested for purity (≥98% by HPLC) and is supplied in sealed, light-resistant packaging to ensure long-term stability. Ideal for researchers seeking a versatile intermediate for electrophilic substitution reactions, nucleophilic aromatic substitutions, or as a precursor for agrochemicals and dyes.

Properties

• CAS Number: 4110-35-4
• Complexity: 274
• IUPAC Name: 3,5-dinitrobenzonitrile
• InChI: InChI=1S/C7H3N3O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H
• InChI Key: SSDNULNTQAUNFQ-UHFFFAOYSA-N
• Exact Mass: 193.01235559
• Molecular Formula: C7H3N3O4
• Molecular Weight: 193.12
• SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C#N
• Topological: 115
• Monoisotopic Mass: 193.01235559
• Synonyms: 3,5-Dinitrobenzonitrile, BENZONITRILE, 3,5-DINITRO-, EINECS 223-889-9, DTXSID60194050, NSC 35873, DTXCID70116541, 223-889-9, inchi=1/c7h3n3o4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3, ssdnulntqaunfq-uhfffaoysa-n, 4110-35-4, 3,5-Dinitro-benzonitrile, CHEMBL292463, 3,5-dinitrobenzenecarbonitrile, NSC35873, MFCD00007228, 3,5-bisnitrobenzonitrile, 3,5 -dinitrobenzonitrile, WLN: WNR CNW ECN, 5-Cyano-1,3-dinitrobenzene, SCHEMBL909884, SCHEMBL1005421, SCHEMBL9304458, 3,5-Dinitrobenzonitrile, 97%, EAA11035, BDBM50101948, NSC-35873, SBB091537, STK377449, AKOS003382202, CS-W015790, BS-16738, D2082, NS00030922, ST45024282, EN300-343386, AC-907/25014150, Z1255434747

Application

3,5-Dinitrobenzonitrile serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its electron-withdrawing nitro and cyano groups make it valuable in nucleophilic aromatic substitution reactions for constructing complex heterocycles. Researchers also employ it as a precursor in the development of energetic materials and corrosion inhibitors. Additionally, it finds use in analytical chemistry as a derivatization agent for detection methods.

Safety and Hazards

GHS Hazard Statements

• H301 (10.9%): Toxic if swallowed [Danger Acute toxicity, oral]
• H302 (89.1%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (97.8%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (97.8%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (89.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P316, 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. 3 (10.9%)
• Acute Tox. 4 (89.1%)
• Acute Tox. 4 (97.8%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• Acute Tox. 4 (97.8%)
• STOT SE 3 (89.1%)

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