4-Amino-2,6-dinitrotoluene

C₇H₇N₃O₄CAS 19406-51-0197.15 g/mol

Open in Covalent MOL file

Nitro Primary amine

Properties

Molecular formula: C₇H₇N₃O₄
Molar mass: 197.15 g/mol
Exact mass: 197.0437 Da
Melting point: 171 °C
logP: 1.39Crippen estimate
Polar surface area: 112.3 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Hazards

Danger

H301 Toxic if swallowed92.9% of notifiers
H311 Toxic in contact with skin92.9% of notifiers
H331 Toxic if inhaled92.9% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure92.9% of notifiers
H411 Toxic to aquatic life with long lasting effects92.9% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P319, P321, P330, P361+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

19406-51-0

SMILES

Cc1c([N+](=O)[O-])cc(N)cc1[N+](=O)[O-]

InChIKey

KQRJATLINVYHEZ-UHFFFAOYSA-N

InChI

InChI=1S/C7H7N3O4/c1-4-6(9(11)12)2-5(8)3-7(4)10(13)14/h2-3H,8H2,1H3

Weigh it out

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

Names and synonyms

11 names

Benzenamine, 4-methyl-3,5-dinitro-
p-Toluidine, 3,5-dinitro-
4-Methyl-3,5-dinitrobenzenamine
3,5-Dinitro-4-methylaniline
2,6-Dinitro-4-aminotoluene
1-Amino-3,5-dinitro-4-methylbenzene
3,5-Dinitro-p-toluidine
4-Methyl-3,5-dinitroaniline
NSC 25010
NSC 55353
4-ADNT

Work with 4-Amino-2,6-dinitrotoluene

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

TNT118-96-766 % similar 5-Bromo-2-methyl-1,3-dinitrobenzene95192-64-661 % similar 4-Methyl-3-nitroaniline119-32-461 % similar 3,4-Dinitroaniline610-41-358 % similar 2,6-Dinitrotoluene606-20-257 % similar 3-Methyl-4-nitroaniline611-05-256 % similar 4-Bromo-2,3-dimethyl-6-nitroaniline108485-13-856 % similar 2-Nitro-4-phenylenediamine5307-14-255 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-4,6-dinitrotoluene35572-78-2 Methyl 4-amino-5-nitro-2-pyridinecarboxylate850544-21-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook