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191167

3-Nitrobenzyl chloride

97%

Synonym(s):

α-Chloro-3-nitrotoluene

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About This Item

Linear Formula:
O2NC6H4CH2Cl
CAS Number:
619-23-8
Molecular Weight:
171.58
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24851471
EC Number:
210-586-1
Beilstein/REAXYS Number:
742794
MDL number:
MFCD00007272
Assay:
97%
Form:
solid
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Quality Segment

100

assay

97%

form

solid

bp

85-87 °C/5 mmHg (lit.)

mp

43-47 °C (lit.)

functional group

chloro, nitro

SMILES string

[O-][N+](=O)c1cccc(CCl)c1

InChI

1S/C7H6ClNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2

InChI key

APGGSERFJKEWFG-UHFFFAOYSA-N

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.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

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

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