2-Nitrobenzyl chloride
Properties
- Molecular formula
- C7H6ClNO2
- Molar mass
- 171.58 g/mol
- Exact mass
- 171.0087 Da
- Density
- 1.5557 g/mL
- Melting point
- 51 °C
- Flash point
- 112.8 °C
- Water solubility
- insoluble
- logP
- 2.33Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H314 Causes severe skin burns and eye damage97.9% of notifiers
- H341 Suspected of causing genetic defects10.6% of notifiers
Aggregated from 47 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P203, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P363, P405, P501
Identifiers
CAS number
612-23-7SMILES
O=[N+]([O-])c1ccccc1CClInChIKey
BXCBUWKTXLWPSB-UHFFFAOYSA-NInChI
InChI=1S/C7H6ClNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Benzene, 1-(chloromethyl)-2-nitro-
- Toluene, α-chloro-o-nitro-
- 1-(Chloromethyl)-2-nitrobenzene
- o-Nitrobenzyl chloride
- α-Chloro-o-nitrotoluene
- NSC 66500
Work with 2-Nitrobenzyl chloride
Similar compounds
2,2′-Dinitrodibenzyl16968-19-769 % similar
Alpha-Chloro-2-methyl-3-nitrotoluene60468-54-468 % similar
2-Nitrobenzyl alcohol612-25-965 % similar
Alpha-Bromo-2-nitrotoluene3958-60-963 % similar
1-Ethyl-2-nitrobenzene612-22-663 % similar
2,4-Dinitrobenzyl chloride610-57-162 % similar
1,2-Dinitrobenzene528-29-059 % similar
2-Nitrobenzeneethanol15121-84-359 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.