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107336

2-Nitrobenzyl chloride

99%

Synonym(s):

α-Chloro-2-nitrotoluene

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About This Item

Linear Formula:
O2NC6H4CH2Cl
CAS Number:
612-23-7
Molecular Weight:
171.58
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24846764
EC Number:
210-300-5
Beilstein/REAXYS Number:
388396
MDL number:
MFCD00007185
Assay:
99%
Form:
solid
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assay

99%

form

solid

bp

127-133 °C/10 mmHg (lit.)

mp

46-48 °C (lit.)

solubility

ethanol: soluble 98%

functional group

nitro

SMILES string

[O-][N+](=O)c1ccccc1CCl

InChI

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

InChI key

BXCBUWKTXLWPSB-UHFFFAOYSA-N

Application

2-Nitrobenzyl chloride was used in the synthesis of S-(2-nitrobenzyl)cysteine which was inserted into human erythropoietin. 2-Nitrobenzyl chloride was used to prepare 4,4′-dinitrostillbene.

Biochem/physiol Actions

2-Nitrobenzyl chloride reacts with N-methyldiethanolamine and further reaction of the resulting quaternary diol with thionyl chloride at room temperature yields nitrobenzyl mustard quaternary salts.

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Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Codes

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

233.6 °F

Flash Point (°C)

112 °C

PPE (personal protective equipment)

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

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