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107336 Sigma-Aldrich

2-Nitrobenzyl chloride

99%

Synonym: α-Chloro-2-nitrotoluene

  • CAS Number 612-23-7

  • Linear Formula O2NC6H4CH2Cl

  • Molecular Weight 171.58

  •  Beilstein/REAXYS Number 388396

  •  EC Number 210-300-5

  •  MDL number MFCD00007185

  •  PubChem Substance ID 24846764

  •  NACRES NA.22

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Properties

Related Categories Building Blocks, Chemical Synthesis, Nitro Compounds, Nitrogen Compounds - Organic Building Blocks, Organic Building Blocks More...
Quality Level   100
assay   99%
bp   127-133 °C/10 mmHg (lit.)
mp   46-48 °C (lit.)
solubility   ethanol: soluble 98%
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

Description

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.

Packaging

10 g in glass bottle

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.

Safety & Documentation

Safety Information

Symbol 
GHS05  GHS05
Signal word 
Danger
Hazard statements 
Precautionary statements 
RIDADR 
UN 3261 8 / PGII
WGK Germany 
WGK 3
Flash Point(F) 
233.6 °F - closed cup
Flash Point(C) 
112 °C - closed cup

Documents

Certificate of Analysis (COA)

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Certificate of Origin (COO)

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Meet Synthia - Retrosynthesis Sofware
Protocols & Articles
Peer-Reviewed Papers
15

References

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