191167
3-Nitrobenzyl chloride
97%
Synonym(s):
α-Chloro-3-nitrotoluene
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About This Item
Linear Formula:
O2NC6H4CH2Cl
CAS Number:
Molecular Weight:
171.58
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
210-586-1
Beilstein/REAXYS Number:
742794
MDL number:
Assay:
97%
Form:
solid
InChI key
APGGSERFJKEWFG-UHFFFAOYSA-N
InChI
1S/C7H6ClNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2
SMILES string
[O-][N+](=O)c1cccc(CCl)c1
assay
97%
form
solid
bp
85-87 °C/5 mmHg (lit.)
Quality Level
functional group
chloro, nitro
Related Categories
General description
Influence of solvent on reduction mechanism of 3-nitrobenzyl chloride was investigated by cyclic voltammetry and controlled potential bulk electrolysis.
Application
3-Nitrobenzyl chloride was used in the synthesis of 8-chloropurine.
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1 - Skin Corr. 1B
Storage Class
8A - Combustible corrosive hazardous materials
wgk
WGK 3
flash_point_f
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
Regulatory Information
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Solvent effects on the reduction mechanism of 3-chloroanthracene, 3-nitrobenzyl chloride and 3-chloroacetophenone.
Jensen H and Daasbjerg K
Acta Chirurgica Scandinavica. Supplementum, 58, 1151-1164 (1998)
J L Kelley et al.
Journal of medicinal chemistry, 33(1), 196-202 (1990-01-01)
A series of 8-substituted analogues of 9-(3-aminobenzyl)-6-(dimethylamino)-9H-purine (8) were synthesized and tested for their ability to bind to the benzodiazepine receptor (BZR) in rat brain tissue. The most active compound was the 8-bromo-9-(3-formamidobenzyl) analogue 16 (IC50 = 0.011 microM), which
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