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CAS Number: 51628-12-7
2-(4-iodophenyl)acetonitrile

Structure

 2-(4-iodophenyl)acetonitrile
Name: 2-(4-iodophenyl)acetonitrile
Synonyms:
General Information
Product Number: 51628127

CAS Registry Number 51628-12-7
Name:
Benzeneacetonitrile, 4-?iodo-
Acetonitrile, (p-iodophenyl)- (6CI,7CI)
4-Iodobenzeneacetonitrile
2-(4-Iodophenyl)acetonitrile
4-Cyanomethylphenyl iodide
4-Iodophenylacetonitrile

 

Chemical Formula: C8H6IN
Exact Mass: 242.95
Molecular Weight: 243.04
m/z: 242.95 (100.0%), 243.96 (8.7%)

 

InChI:InChI=1S/C8H6IN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2

InChI Key:PNXWQTYSBFGIFD-UHFFFAOYSA-N

Canonical SMILES:C1=CC(=CC=C1CC#N)I

 

Thermal Properties Value Condition Note
Boiling Point 172 °C Press: 13 Torr (1)CAS
Melting Point 56-58 °C   (2)CAS
Melting Point 56-57 °C Solv: ethanol (64-17-5) (3)CAS

Specification

98%
References
  1. (1) Buu-Hoi, Ng. Ph.; Journal of Organic Chemistry 1951, V16, P874-81 CAPLUS
  2. (2) Lomenzo, Stacey A.; Journal of Medicinal Chemistry 2005, V48(5), P1336-1343 CAPLUS
  3. (3) Carissimi, Massimo; FR M1687 1963 CAPLUS
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