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191167

3-Nitrobenzyl chloride

Name: 3-Nitrobenzyl chloride
Brand: ALDRICH

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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Properties

Quality Level

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

Description

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

GHS05

signalword

Danger

hcodes

H314

pcodes

P260 - P280 - P303 + P361 + P353 - P304 + P340 + P310 - P305 + P351 + P338 - P363

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)

Benzodiazepine receptor binding activity of 8-substituted-9-(3-substituted-benzyl)-6-(dimethylamino)-9H-purines.

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

Global Trade Item Number

SKU	GTIN
191167-10G	04061838760067
191167-50G	04061832106403