191167

3-Nitrobenzyl chloride

97%

• Synonym(s): α-Chloro-3-nitrotoluene
• Linear Formula: O₂NC₆H₄CH₂Cl
• CAS Number: 619-23-8
• Molecular Weight: 171.58
• Beilstein/REAXYS Number: 742794
• EC Number: 210-586-1
• MDL number: MFCD00007272
• UNSPSC Code: 12352100
• PubChem Substance ID: 24851471
• NACRES: NA.22

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.

Safety Information

• 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_germany: 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