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2-Nitrobenzonitrile

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2-Nitrobenzonitrile Basic information

Product Name:
2-Nitrobenzonitrile
Synonyms:
  • (o-Nitrophenyl)acetonitrile
  • 2-Nitrobenzoesαurenitril
  • 2-nitro-benzonitril
  • Benzonitrile, 2-nitro-
  • Benzonitrile, o-nitro-
  • Benzonitrile,2-nitro-
  • o-Cyanonitrobenzene
  • o-nitro-benzonitril
CAS:
612-24-8
MF:
C7H4N2O2
MW:
148.12
EINECS:
210-301-0
Product Categories:
  • C6 to C7
  • Cyanides/Nitriles
  • Aromatic Nitriles
  • Nitrogen Compounds
Mol File:
612-24-8.mol
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2-Nitrobenzonitrile Chemical Properties

Melting point:
107-109 °C (lit.) 108-110 °C
Boiling point:
165 °C (16 mmHg)
Density 
1.4015 (rough estimate)
refractive index 
1.5300 (estimate)
Flash point:
165°C/16mm
storage temp. 
Sealed in dry,Room Temperature
form 
Crystalline Powder
color 
Yellow
Water Solubility 
Insoluble in water.
BRN 
638987
InChI
InChI=1S/C7H4N2O2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H
InChIKey
SWBDKCMOLSUXRH-UHFFFAOYSA-N
SMILES
C(#N)C1=CC=CC=C1[N+]([O-])=O
CAS DataBase Reference
612-24-8(CAS DataBase Reference)
NIST Chemistry Reference
2-Nitrobenzoic acid nitrile(612-24-8)
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Safety Information

Hazard Codes 
Xn,Xi
Risk Statements 
20/22-36/37/38
Safety Statements 
22-24/25-36-26
RIDADR 
3276
WGK Germany 
3
RTECS 
DI4903000
Hazard Note 
Irritant
HazardClass 
6.1
PackingGroup 
III
HS Code 
29269090

MSDS

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2-Nitrobenzonitrile Usage And Synthesis

Chemical Properties

YELLOW CRYSTALLINE POWDER

Uses

ET catalysis of Au25 in intramolecular cascade reaction of 2-nitrobenzonitrile, from which 2-amniobenzamide (a precursor of significant pharmaceuticals20,21) is produced with high yield. fluorodenitration of 2-nitrobenzonitrile with Rb18F in DMSO gave an 85% yield of the 18F-labelled benzonitrile after only 20 minutes at 150°C.

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