Hexanitrodiphenylamine

C₁₂H₅N₇O₁₂CAS 131-73-7439.21 g/mol

Open in Covalent MOL file

Nitro Secondary amine

Properties

Molecular formula: C₁₂H₅N₇O₁₂
Molar mass: 439.21 g/mol
Exact mass: 438.9996 Da
Melting point: 244 °C (decomposes)
Water solubility: 60 mg/L (17 °C)
logP: 2.88Crippen estimate
Polar surface area: 270.9 Å²
H-bond donors / acceptors: 1 / 13
Rotatable bonds: 8

Hazards

Danger

H201 (Deleted) Explosive; mass explosion hazardExplosives
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
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 612-018-00-1), via PubChem.

Precautionary statements

P210, P230, P240, P250, P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P319, P320, P321, P330, P361+P364, P370+P380, P372, P373, P391, P401, P403+P233, P405, P501

Identifiers

CAS number

131-73-7

SMILES

O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1

InChIKey

CBCIHIVRDWLAME-UHFFFAOYSA-N

InChI

InChI=1S/C12H5N7O12/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h1-4,13H

Weigh it out

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

Names and synonyms

13 names · show all

Benzenamine, 2,4,6-trinitro-N-(2,4,6-trinitrophenyl)-
Diphenylamine, 2,2′,4,4′,6,6′-hexanitro-
2,4,6-Trinitro-N-(2,4,6-trinitrophenyl)benzenamine
Dipicrylamine
2,4,6,2′,4′,6′-Hexanitrodiphenylamine
Hexamine (potassium reagent)
Hexyl
2,2′,4,4′,6,6′-Hexanitrodiphenylamine
Hexyl (reagent)
Bis(2,4,6-trinitrophenyl)amine
Hexamine
NSC 1786
N,N-Bis(2,4,6-Trinitrophenyl)amine

Work with Hexanitrodiphenylamine

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3,6,8-Tetranitronaphthalene28995-89-361 % similar TNT118-96-759 % similar 2,4,6-Trinitroaniline489-98-559 % similar Picryl chloride88-88-059 % similar Picric acid88-89-159 % similar 1,3,5-Trinitrobenzene99-35-458 % similar 1,1-Diphenyl-2-picrylhydrazine1707-75-156 % similar 5,7-Dinitrooxindole30490-21-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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