2,4-Dinitrobenzyl chloride

C₇H₅ClN₂O₄CAS 610-57-1216.58 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: 97–98 °C
logP: 2.24Crippen estimate
Polar surface area: 86.3 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3

Hazards

Danger

H314 Causes severe skin burns and eye damage100% of notifiers
H318 Causes serious eye damage88.4% of notifiers
H335 May cause respiratory irritation88.4% of notifiers

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P403+P233, P405, P501

Identifiers

CAS number

610-57-1

SMILES

O=[N+]([O-])c1ccc(CCl)c([N+](=O)[O-])c1

InChIKey

DARDYTBLZQDXBK-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Benzene, 1-(chloromethyl)-2,4-dinitro-
Toluene, α-chloro-2,4-dinitro-
1-(Chloromethyl)-2,4-dinitrobenzene
o,p-Dinitrobenzyl chloride
Alpha-Chloro-2,4-dinitrotoluene

Work with 2,4-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

2-(Chloromethyl)-4-nitrophenol2973-19-562 % similar 2-Nitrobenzyl chloride612-23-762 % similar 2-Nitro-4-(trifluoromethyl)benzyl chloride225656-59-762 % similar 2,4-Dinitrophenylacetic acid643-43-657 % similar 2,4-Dinitrochlorobenzene97-00-757 % similar 4-Nitrobenzyl chloride100-14-156 % similar Alpha-Chloro-m-nitrotoluene619-23-854 % similar 2-[(2,4-Dinitrophenyl)methyl]pyridine1151-97-953 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Chloro-2,4-dinitrotoluene51676-74-5 2-Chloro-5-methyl-1,3-dinitrobenzene5264-65-3 Methyl 6-chloro-5-nitro-3-pyridinecarboxylate59237-53-5 3,5-Dinitrobenzyl chloride74367-78-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook