1,3-Dichloro-4,6-dinitrobenzene

C₆H₂Cl₂N₂O₄CAS 3698-83-7236.99 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₂Cl₂N₂O₄
Molar mass: 236.99 g/mol
Exact mass: 235.9392 Da
Melting point: 178 °C
logP: 2.81Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed13% of notifiers
H312 Harmful in contact with skin10.9% of notifiers
H315 Causes skin irritation13% of notifiers
H319 Causes serious eye irritation13% of notifiers
H332 Harmful if inhaled13% of notifiers
H335 May cause respiratory irritation13% of notifiers
H400 Very toxic to aquatic life97.8% of notifiers
H410 Very toxic to aquatic life with long lasting effects13% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

3698-83-7

SMILES

O=[N+]([O-])c1cc([N+](=O)[O-])c(Cl)cc1Cl

InChIKey

ZPXDNSYFDIHPOJ-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl2N2O4/c7-3-1-4(8)6(10(13)14)2-5(3)9(11)12/h1-2H

Weigh it out

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

Names and synonyms

7 names

Benzene, 1,5-dichloro-2,4-dinitro-
1,5-Dichloro-2,4-dinitrobenzene
2,4-Dichloro-1,5-dinitrobenzene
4,6-Dichloro-1,3-dinitrobenzene
4,6-Dinitro-1,3-dichlorobenzene
NSC 28971
2,6-Dichloro-3,5-dinitrobenzene

Work with 1,3-Dichloro-4,6-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,4,5-Trichloronitrobenzene89-69-087 % similar 2,4-Dichloro-5-nitrophenol39489-77-571 % similar 5-Chloro-2,4-dinitrotoluene51676-74-571 % similar 2,5-Dichloro-4-nitrobenzenamine6627-34-566 % similar 2,4-Dichloro-5-nitrobenzotrifluoride400-70-465 % similar 2-Nitrochlorobenzene88-73-363 % similar 2,4-Dichloronitrobenzene611-06-362 % similar 1,4-Dichloro-2-nitrobenzene89-61-262 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook