1,2-Dimethoxy-4,5-dinitrobenzene

C₈H₈N₂O₆CAS 3395-03-7228.16 g/mol

Open in Covalent MOL file

Ether Nitro

Properties

Molecular formula: C₈H₈N₂O₆
Molar mass: 228.16 g/mol
Exact mass: 228.0382 Da
logP: 1.52Crippen estimate
Polar surface area: 104.7 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

3395-03-7

SMILES

COC1=C(C=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])OC

InChIKey

WFDHPWTYKOAFBJ-UHFFFAOYSA-N

InChI

InChI=1S/C8H8N2O6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3

Weigh it out

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

Work with 1,2-Dimethoxy-4,5-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

4,5-Dimethoxy-2-nitrotoluene7509-11-776 % similar DMNB20357-25-969 % similar 2,5-Dimethoxy-4-nitrobenzenamine6313-37-768 % similar 4,5-Dimethoxy-2-nitrobenzenemethanol1016-58-667 % similar 4,5-Dimethoxy-2-nitrobenzonitrile102714-71-667 % similar 1-Chloro-2,5-dimethoxy-4-nitrobenzene6940-53-066 % similar 1-(4,5-Dimethoxy-2-nitrophenyl)ethanone4101-32-065 % similar O-Nitroanisole91-23-663 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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