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CAS Number: 69113-59-3
3-iodobenzonitrile

Structure

 3-iodobenzonitrile
Name: 3-iodobenzonitrile
Synonyms:
General Information
Product Number: 69113593

CAS Registry Number 69113-59-3
Name:
Benzonitrile, 3-?iodo-
Benzonitrile, m-iodo- (6CI)
3-Iodobenzonitrile
3-Cyano-1-iodobenzene
3-Cyanoiodobenzene
3-Cyanophenyl iodide

 

Chemical Formula: C7H4IN
Exact Mass: 228.94
Molecular Weight: 229.02
m/z: 228.94 (100.0%), 229.94 (7.9%)

 

InChI:InChI=1S/C7H4IN/c8-7-3-1-2-6(4-7)5-9/h1-4H

InChI Key:BGARPMGQRREXLN-UHFFFAOYSA-N

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

Specification

98%
References

(3) Merz, Klaus; Crystal Growth & Design 2006, V6(7), P1615-1619 CAPLUS
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