1,4-Dinitrobenzene

C₆H₄N₂O₄CAS 100-25-4168.11 g/mol

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Properties

Molecular formula: C₆H₄N₂O₄
Molar mass: 168.11 g/mol
Exact mass: 168.0171 Da
Density: 1.625 g/mL (at 18 °C)
Melting point: 174 °C
Boiling point: 297 °C
Flash point: 150 °C
Water solubility: 69 mg/L
logP: 1.50Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H300 Fatal if swallowedAcute toxicity, oral
H310 Fatal in contact with skinAcute toxicity, dermal
H330 Fatal if inhaledAcute toxicity, inhalation
H373 ** May causes damage to organs through prolonged or repeated exposureSpecific target organ toxicity, repeated exposure
H400 Very toxic to aquatic lifeHazardous to the aquatic environment, acute hazard
H410 Very toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 609-004-00-2[2]), via PubChem.

Precautionary statements

P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

100-25-4

SMILES

O=[N+]([O-])c1ccc([N+](=O)[O-])cc1

InChIKey

FYFDQJRXFWGIBS-UHFFFAOYSA-N

InChI

InChI=1S/C6H4N2O4/c9-7(10)5-1-2-6(4-3-5)8(11)12/h1-4H

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

6 names

Benzene, 1,4-dinitro-
Benzene, p-dinitro-
p-Dinitrobenzene
para-Dinitrobenzene
NSC 3809
1,4-Dintrobenzene

Reactions

p-DINITROBENZENE (Benzene, p-dinitro-)product

Safety data sheets

One stored sheet lists this compound in section 3, matched by the CAS number 100-25-4. Each row opens the sheet with its composition and PDF.

1,4-Dinitrobenzene ≤ 100 %Fisher Scientific · 2025-12-22

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Work with 1,4-Dinitrobenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4'-Dinitro-1,1'-biphenyl1528-74-183 % similar 1,2-Bis(4-nitrophenyl)ethane736-30-175 % similar Nitrobenzene98-95-374 % similar 4-Nitrochlorobenzene100-00-571 % similar 4-Nitroaniline100-01-671 % similar 4-Nitrophenol100-02-771 % similar Bis(4-nitrophenyl) disulfide100-32-371 % similar 1,1′-Oxybis[4-nitrobenzene]101-63-371 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2,4-Dinitrosoresorcinol118-02-5 2,5-Pyrazinedicarboxylic acid122-05-4 4-Nitropicolinic acid13509-19-8 4,6-Pyrimidine dicarboxylic acid16490-02-1 5-Nitronicotinic acid2047-49-6 6-Nitropyridine-2-carboxylic acid26893-68-5 5-Nitropicolinic acid30651-24-2 2-Nitro-4-pyridinecarboxylic acid33225-74-0

Elsewhere

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