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140112

4-Nitrobenzyl chloride

99%

Synonym(s):

α-Chloro-4-nitrotoluene

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About This Item

Linear Formula:
O2NC6H4CH2Cl
CAS Number:
100-14-1
Molecular Weight:
171.58
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24848454
EC Number:
202-822-7
Beilstein/REAXYS Number:
387187
MDL number:
MFCD00007374
Assay:
99%
Form:
solid
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Quality Segment

assay

99%

form

solid

mp

70-73 °C (lit.)

solubility

chloroform: soluble 50 mg/mL, clear to very slightly hazy, faintly yellow

functional group

chloro, nitro

SMILES string

[O-][N+](=O)c1ccc(CCl)cc1

InChI

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

InChI key

KGCNHWXDPDPSBV-UHFFFAOYSA-N

General description

4-Nitrobenzyl chloride acts as substrate for glutathione S-transferase(GST) in determination of GST in Chinese fetal liver. It undergoes reduction by NADPH to yield 4-nitrotoluene.

Application

4-Nitrobenzyl chloride was used to prepare unsymmetrically N,N′-bis(substituted) 4,13-diaza-18-crown-6-ether derivatives.

Pictograms

CorrosionExclamation mark
GHS05,GHS07

Signal Word

Danger

Hazard Codes

H302,H314

Hazard Classifications

Acute Tox. 4 Oral - Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

PPE (personal protective equipment)

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

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