Description

1,2-Dimethyl-4-nitrobenzene (CAS No. 99-51-4), also known as 4-Nitro-o-xylene, is a high-purity nitroaromatic compound with the molecular formula C₈H₉NO₂. This yellow crystalline solid is widely utilized in organic synthesis, pharmaceutical intermediates, and agrochemical research due to its versatile reactivity. With a purity of ≥99%, our product is rigorously tested via GC/HPLC to ensure consistency for demanding laboratory and industrial applications. It is packaged under inert conditions to maintain stability and shipped with detailed technical data, including MSDS and COA. Ideal for researchers and chemists seeking a reliable precursor for nitration, reduction, or electrophilic substitution reactions.

Properties

• CAS Number: 99-51-4
• Complexity: 153
• IUPAC Name: 1,2-dimethyl-4-nitro-benzene
• InChI: InChI=1S/C8H9NO2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3
• InChI Key: HFZKOYWDLDYELC-UHFFFAOYSA-N
• Exact Mass: 151.063328530
• Molecular Formula: C8H9NO2
• Molecular Weight: 151.16
• SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C
• Topological: 45.8
• Monoisotopic Mass: 151.063328530
• Physical Description: 1,2-dimethyl-4-nitrobenzene appears as yellow prisms or yellow crystalline solid.
• Color/Form: YELLOW PRISMS FROM ALCOHOL
• Boiling Point: 489 °F at 748 mmHg
• Melting Point: 86 to 88 °F
• Flash Point: 225 °F
• Solubility: 1 to 5 mg/mL at 59 °F
• Density: 1.117 – Denser than water; will sink
• Synonyms: 4-Nitro-o-xylene, 1,2-DIMETHYL-4-NITROBENZENE, Benzene, 1,2-dimethyl-4-nitro-, CCRIS 3118, HSDB 5324, EINECS 202-761-6, NSC 66555, DTXSID2025133, UNII-FI6475010K, NSC-66555, FI6475010K, DTXCID805133, EC 202-761-6, 1,2-DIMETHYL-4-NITROBENZENE [HSDB], pNitrooxylene, 4Nitrooxylene, oXylene, 4nitro, paraNitroorthoxylene, 3,4Dimethyl1nitrobenzene, 4Nitro1,2dimethylbenzene, Benzene, 1,2dimethyl4nitro, UN3447, hfzkoywdldyelc-uhfffaoysa-n, 99-51-4, 1,2-dimethyl-4-nitrobenzol, p-Nitro-o-xylene, o-Xylene, 4-nitro-, 3,4-Dimethyl-1-nitrobenzene, 4-Nitro-1,2-dimethylbenzene, para-Nitro-ortho-xylene, 3,4-Dimethylnitrobenzene, MFCD00007268, 1,2-dimethyl-4-nitro-benzene, CAS-99-51-4, 4-nitro-o-xylol, 4-nitro o-xylene, 3-nitro-6-xylene, Benzene,2-dimethyl-4-nitro-, SCHEMBL384312, SCHEMBL456947, SCHEMBL5953847, SCHEMBL9007976, SCHEMBL9300062, CHEMBL1413373, SCHEMBL11431026, NSC66555, Tox21_201332, Tox21_300387, SBB061462, 1,2-Dimethyl-4-nitrobenzene, 99%, AKOS000120608, NCGC00091347-01, NCGC00091347-02, NCGC00091347-03, NCGC00091347-04, NCGC00254358-01, NCGC00258884-01, BS-42341, D1085, NS00009140, ST51047474, EN300-21077, E78959, A846039, Q27277994, Z104488476

1,2-Dimethyl-4-nitrobenzene serves as a key intermediate in the synthesis of dyes, pigments, and pharmaceuticals. It is employed in organic transformations such as catalytic hydrogenation to produce xylidines. Researchers also use it to study nitroarene reduction mechanisms or as a building block for complex aromatic frameworks. Its stability under controlled conditions makes it suitable for industrial-scale chemical processes.

Safety and Hazards

GHS Hazard Statements

• H302 (29.5%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (28.9%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H332 (28.9%): Harmful if inhaled [Warning Acute toxicity, inhalation]

Precautionary Statements

• P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501

Hazard Classes and Categories

• Acute Tox. 4 (29.5%)
• Acute Tox. 4 (28.9%)
• Acute Tox. 4 (28.9%)

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