Description

2-Nitrotoluene (CAS No. 88-72-2) is a high-purity aromatic nitro compound with the molecular formula C₇H₇NO₂, widely utilized in organic synthesis and industrial applications. This yellow to light brown crystalline solid (or liquid, depending on temperature) is an essential intermediate in the production of dyes, pharmaceuticals, and agrochemicals. With an IUPAC name of 1-methyl-2-nitrobenzene, it exhibits excellent solubility in organic solvents like ethanol and ether while being sparingly soluble in water. Our premium-grade 2-Nitrotoluene undergoes rigorous quality control to ensure ≥98% purity (GC), making it ideal for research, synthetic chemistry, and manufacturing processes. Available in secure, chemically resistant packaging (1kg, 5kg, 25kg), it is supplied with comprehensive SDS and technical documentation to meet regulatory standards (REACH, OSHA).

Properties

• CAS Number: 88-72-2
• Complexity: 130
• IUPAC Name: 1-methyl-2-nitro-benzene
• InChI: InChI=1S/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H3
• InChI Key: PLAZTCDQAHEYBI-UHFFFAOYSA-N
• LogP: log Kow = 2.30
• Exact Mass: 137.047678466
• Molecular Formula: C7H7NO2
• Molecular Weight: 137.14
• SMILES: CC1=CC=CC=C1[N+](=O)[O-]
• Topological: 45.8
• Monoisotopic Mass: 137.047678466
• Physical Description: O-nitrotoluene is a light yellow oily liquid with a characteristic odor of aromatic nitro compounds. Sinks in water. Derived from toluene by nitration and separation by fractional distillation. Flash point 223 °F.
• Color/Form: Yellowish liquid at ordinary temperature
• Odor: Weak, aromatic odor
• Boiling Point: 431.1 °F at 760 mmHg
• Melting Point: 14.9 °F
• Flash Point: 223 °F
• Solubility: less than 1 mg/mL at 70 °F
• Density: 1.1622 at 66.2 °F – Denser than water; will sink
• Vapor Density: 4.72 – Heavier than air; will sink
• Vapor Pressure: 0.1 mmHg at 68 °F ; 0.25 mmHg at 86 °F; 1.6 mmHg at 140 °F
• Henry’s Law Constant: Henry’s Law constant = 1.25X10-5 atm-cu m/mole at 25 °C
• Stability/Shelf Life: /Heat contributes/ … to instability. /Nitrotoluene/
• Autoignition Temperature: 581 °F
• Viscosity: 2.7 mPa
• Heat of Combustion: -11,290 Btu/lb = -6,272 cal/g = -262 x 10+5 J/kg
• Heat of Vaporization: 12,239.1 gcal/gmole
• Surface Tension: In dynes/cm: 42.29, 41.76, and 40.50 at 15, 19.5, 20, and 30 °C, respectively
• Ionization Potential: 9.43 eV
• Odor Threshold: Odor Threshold Low: 0.05 [ppm]
• Refractive Index: Index of refraction: 1.5472 at 20 °C/D
• Synonyms: 2-Nitrotoluene, 1-Methyl-2-nitrobenzene, 88-72-2, O-NITROTOLUENE, NITROTOLUENE, o-Nitrotoluol, o-Methylnitrobenzene, Toluene, o-nitro-, 2-Methyl-1-nitrobenzene, 2-Methylnitrobenzene, 2-Nitrotoluol, ortho-Nitrotoluol, Benzene, 1-methyl-2-nitro-, 1321-12-6, 1-methyl-2-nitro-benzene, NSC 9577, ONT, 6Q9N88YIAY, MLS001055384, DTXSID4025791, CHEBI:33098, NSC-9577, o-NT, SMR000677946, ortho-nitrotoluene, Nitrotoluene, o-, 2-Nitrotoluene, >=99%, DTXCID005791, CAS-88-72-2, CCRIS 1224, HSDB 2189, Nitrotoluene, o-isomer, EINECS 201-853-3, UNII-6Q9N88YIAY, AI3-16311, 2-nitro toluene, 2-nitro-toluene, o-mononitrotoluene, Benzene,methylnitro-, MFCD00007157, o-methyl nitrobenzene, 2-methyl-nitrobenzene, o-Nitrotoluene, liquid, TOLUENE,2-NITRO, ORTHO NITROTOLUENE, NITROTOLUENE, 2-, EC 201-853-3, cid_6944, SCHEMBL8374, WLN: WNR B1, O-NITROTOLUENE [MI], SCHEMBL20187, SCHEMBL26788, SCHEMBL58127, CHEMBL47047, SCHEMBL374613, SCHEMBL374614, SCHEMBL455622, SCHEMBL458354, 2-NITROTOLUENE [HSDB], 2-NITROTOLUENE [IARC], SCHEMBL2490500, SCHEMBL5675005, SCHEMBL8008054, BDBM91068, NSC9577, HMS3039E06, 2-Nitrotoluene, analytical standard, Tox21_202393, Tox21_300032, STL283955, AKOS000120143, UN-1664, NCGC00090723-01, NCGC00090723-02, NCGC00090723-03, NCGC00254124-01, NCGC00259942-01, BS-43806, DB-365209, N0275, NS00005656, EN300-19370, o-Nitrotoluene, liquid [UN1664] [Poison], C19597, Q2533785, F9995-1659, InChI=1/C7H7NO2/c1-6-4-2-3-5-7(6)8(9)10/h2-5H,1H

Application

2-Nitrotoluene serves as a key precursor in synthesizing o-toluidine and other derivatives for azo dye manufacturing. It is employed in pharmaceutical intermediates and as a solvent in specialty chemical reactions. Industrial applications include its use in explosive formulations and corrosion inhibitors. Researchers value it for studying nitroaromatic compound behavior in environmental and catalytic systems.

Safety and Hazards

GHS Hazard Statements

• H302: Harmful if swallowed [Warning Acute toxicity, oral]
• H341: Suspected of causing genetic defects [Warning Germ cell mutagenicity]
• H350: May cause cancer [Danger Carcinogenicity]
• H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure]
• H373: May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
• H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]
• H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P203, P260, P264, P270, P273, P280, P301+P317, P308+P316, P318, P319, P321, P330, P391, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (100%)
• Acute Tox. 3 (100%)
• Acute Tox. 3 (99.1%)
• Muta. 1B (100%)
• Carc. 1B (100%)
• Repr. 2 (100%)
• STOT RE 2 (100%)
• Aquatic Chronic 2 (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.