107336
2-Nitrobenzyl chloride
99%
Synonym(s):
α-Chloro-2-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:
210-300-5
Beilstein/REAXYS Number:
388396
MDL number:
Assay:
99%
Form:
solid
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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signalword
Warning
hcodes
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
Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
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