Compound: 2,4-DINITROTOLUENE
SMILES: O=[N+]([O-])c1c(ccc(c1)[N+](=O)[O-])C
InChIKey: RMBFBMJGBANMMK-UHFFFAOYSA-N
Synonyms: 2,4-DINITROTOLUENE, 121-14-2, 1-Methyl-2,4-dinitrobenzene, 2,4-Dinitrotoluol, 2,4-DNT, Benzene, 1-methyl-2,4-dinitro-, 2,4-Dinitromethylbenzene, Toluene, 2,4-dinitro-, 2,4-Dinitro-1-methylbenzene, 4-Methyl-1,3-dinitrobenzene, NCI-C01865, DTXSID0020529, 6-Methyl-1,3-dinitrobenzene, NSC-7194, 6741D310ED, CHEBI:920, DTXCID60529, RefChem:443843, 204-450-0, RCRA waste number U105, NSC 7194, 2,4-Dinitrotoluene, practical grade, Benzene, 1-methyl-2,4-dinitro-, sulfurized, MFCD00007172, 1326-41-6, DNT, EINECS 215-422-2, 84029-42-5, 2,4-Dinitrotoluene (containing 0.5% 2,6-dinitrotoluene), 2,4-Dinitrotoluene (containing 1.0-1.5% 2,6-dinitrotoluene), 2,-Dinitrotoluene, Dinitrotoluol, CAS-121-14-2, CCRIS 268, HSDB 1144, EINECS 204-450-0, RCRA waste no. U105, 1-methyl-2,4-dinitro-benzene, AI3-15342, UNII-6741D310ED, EINECS 281-716-2, 2,4-dinitro-toluene, Benzene,methyldinitro-, WLN: WNR B1 ENW, SCHEMBL48806, 2,4-Dinitrotoluene, 97%, SCHEMBL232696, CHEMBL259865, SCHEMBL1891926, SCHEMBL6898661, SCHEMBL7237793, SCHEMBL9640251, SGCUT00009, SCHEMBL29349558, NSC7194, 2,4-DINITROTOLUENE [HSDB], 2,4-DINITROTOLUENE [IARC], to_000001, Tox21_201784, Tox21_300493, STL199167, AKOS003273098, 2,4-Dinitrotoluene, analytical standard, DINITRO-1-METHYLBENZENE, 2,4-, NCGC00091755-01, NCGC00091755-02, NCGC00091755-03, NCGC00091755-04, NCGC00254317-01, NCGC00259333-01, D0856, NS00009261, EN300-19638, C91637, 2,4-Dinitrotoluene 1000 microg/mL in Methanol, 2,4-Dinitrotoluene 100 microg/mL in Acetonitrile, Q416626, 2,4-Dinitrotoluene, certified reference material, TraceCERT(R), InChI=1/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H
Theoretical properties:
molecular_formula: C7H6N2O4
molecular_weight: 182.13 g/mol
exact_mass: 182.03275668 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 0
heavy_atom_count: 13
topological_polar_surface_area: 91.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Yellow needles or monoclinic prisms
color: Yellow needles or monoclinic prisms
odor: SLIGHT ODOR
boiling_point: 572 °F at 760 mmHg (Decomposes) (NTP, 1992)
melting_point: 153 to 158 °F (NTP, 1992)
density: 1.379 at 68 °F (USCG, 1999) - Denser than water; will sink
solubility: less than 0.1 mg/mL at 63 °F (NTP, 1992)
flash_point: 405 °F (NTP, 1992)
vapor_pressure: 1 mmHg at 68 °F (NTP, 1992)
Descriptions:
pubchem: 2,4-Dinitrotoluene can cause cancer according to an independent committee of scientific and health experts. It can cause male reproductive toxicity according to The Environmental Protection Agency (EPA).
chebi: A dinitrotoluene in which the methyl group is <em>ortho</em> to one of the nitro groups and <em>para</em> to the other. It is the most common isomer of dinitrotoluene.
chembl: Unnamed Compound is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 2,4-Dinitrotoluene (DNT) or dinitro is an organic compound with the formula C7H6N2O4. This pale yellow crystalline solid is well known as a precursor to trinitrotoluene (TNT) but is mainly produced as a precursor to toluene diisocyanate.