3-Iodobenzonitrile
Names
[ CAS No. ]:
69113-59-3
[ Name ]:
3-Iodobenzonitrile
[Synonym ]:
MFCD00079762
3-Iodobenzonitrile
Benzonitrile,3-iodo
m-iodobenzonitrile
3-iodobenzenecarbonitrile
m-cyanophenyl iodide
Benzonitrile, 3-iodo-
3-cyanophenyl iodide
1-Cyano-3-iodobenzene
3-iodo-benzonitrile
Chemical & Physical Properties
[ Density]:
1.9±0.1 g/cm3
[ Boiling Point ]:
260.1±23.0 °C at 760 mmHg
[ Melting Point ]:
40-43 °C(lit.)
[ Molecular Formula ]:
C7H4IN
[ Molecular Weight ]:
229.018
[ Flash Point ]:
111.1±22.6 °C
[ Exact Mass ]:
228.938828
[ PSA ]:
23.79000
[ LogP ]:
2.75
[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C
[ Index of Refraction ]:
1.661
MSDS
Safety Information
[ Personal Protective Equipment ]:
Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
[ Hazard Codes ]:
Xi:Irritant;
[ Risk Phrases ]:
R36/37/38
[ Safety Phrases ]:
S36/37/39-S26-S37/39
[ RIDADR ]:
3439
[ WGK Germany ]:
3
[ Packaging Group ]:
III
[ Hazard Class ]:
6.1
[ HS Code ]:
2926909090
Synthetic Route
Precursor & DownStream
Precursor
DownStream
Customs
[ HS Code ]: 2926909090
[ Summary ]:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Articles
Bioorg. Med. Chem. Lett. 19 , 5056-5059, (2009)
Compound 1 is a potent and selective antagonist of the dopamine D(3) receptor. With the aim of developing a carbon-11 labeled ligand for the dopamine D(3) receptor, 1 was selected as a potential PET p...
Synthesis of tetrachloroisophthalo-[14C]-nitrile. Davies PE.J. Labelled Comp. Radiopharm. 21(3) , 285-292, (1984)
Synthesis of Chiral Amino Acid Anilides by Ligand-Free Copper-Catalyzed Selective N-Arylation of Amino Acid Amides Dong J, et al.
Adv. Synth. Catal. 355(4) , 692-696, (2013)