3,5-Dinitrobenzyl chloride

C₇H₅ClN₂O₄CAS 74367-78-5216.58 g/mol

Open in Covalent MOL file

Alkyl halide Nitro

Properties

Molecular formula: C₇H₅ClN₂O₄
Molar mass: 216.58 g/mol
Exact mass: 215.9938 Da
Melting point: 46–47 °C
logP: 2.24Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Identifiers

CAS number

74367-78-5

SMILES

O=[N+]([O-])c1cc(CCl)cc([N+](=O)[O-])c1

InChIKey

SMJODKZAFKWUJG-UHFFFAOYSA-N

InChI

InChI=1S/C7H5ClN2O4/c8-4-5-1-6(9(11)12)3-7(2-5)10(13)14/h1-3H,4H2

Weigh it out

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

Names and synonyms

4 names

Benzene, 1-(chloromethyl)-3,5-dinitro-
Toluene, α-chloro-3,5-dinitro-
1-(Chloromethyl)-3,5-dinitrobenzene
1-Chloromethyl-3,5-dinitrobenzene

Work with 3,5-Dinitrobenzyl chloride

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

3-Nitrobenzyl chloride619-23-868 % similar 4-Nitrobenzyl chloride100-14-166 % similar 3,5-Dinitrobenzenemethanol71022-43-060 % similar 1-Bromo-3,5-dinitrobenzene18242-39-250 % similar 3,5-Dinitrobenzonitrile4110-35-450 % similar 3,5-Dichloronitrobenzene618-62-250 % similar 3,5-Dinitroaniline618-87-150 % similar 4-(Chloromethyl)-1-methyl-2-nitrobenzene84540-59-049 % similar

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

Same formula

2-Chloro-5-methyl-1,3-dinitrobenzene5264-65-3 Methyl 6-chloro-5-nitro-3-pyridinecarboxylate59237-53-5 2,4-Dinitrobenzyl chloride610-57-1

Elsewhere

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