3-Iodobenzonitrile

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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

Click to get detail 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 1-(3-Iodophenyl)methanamine
  • 3-Aminobenzonitrile
  • 3-Iodobenzoic acid
  • Benzonitrile
  • 3-Iodobenzamide
  • Sodium benzenolate
  • m-cyanodiphenyliodonium iodide
  • 3-Bromobenzonitrile
  • Phenol

DownStream

  • 3-phenylsulfanylbenzonitrile
  • 3-Ethynylbenzonitrile
  • 3-(Trifluoromethyl)benzonitrile
  • 4'-AMINOBIPHENYL-3-CARBONITRILE
  • 3-Morpholinobenzonitrile
  • 3-(1H-IMIDAZOL-1-YL)BENZONITRILE
  • 3-(1H-PYRAZOL-1-YL)BENZONITRILE
  • 3-Cyanophenol
  • 3-Acetylbenzonitrile
  • 3-Iodobenzaldehyde

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

Dopamine D3 receptor antagonists: the quest for a potentially selective PET ligand. Part 3: Radiosynthesis and in vivo studies.

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)


More Articles

Related Compounds

  • 4-Amino-3-iodobenzonitrile
  • 4-bromo-3-iodobenzonitrile
  • 2-Bromo-3-iodobenzonitrile
  • 4-Chloro-3-iodobenzonitrile
  • 2-Fluoro-3-iodobenzonitrile
  • 4-Fluoro-3-iodobenzonitrile
  • N-((1H-benzo[d]imidazol-2-yl)methyl)-2-(cyclopentyloxy)-N-methylisonicotinamide
  • N-(2-cyanophenyl)-6-((tetrahydrothiophen-3-yl)oxy)nicotinamide
  • N-(2-chloro-5-(trifluoromethyl)phenyl)-6-((tetrahydrothiophen-3-yl)oxy)nicotinamide
  • N-(isoxazol-3-yl)-6-((tetrahydrothiophen-3-yl)oxy)nicotinamide
  • N-(3-(methylsulfonamido)phenyl)-6-((tetrahydrothiophen-3-yl)oxy)nicotinamide
  • 6-((tetrahydrothiophen-3-yl)oxy)-N-(2-(trifluoromethoxy)benzyl)nicotinamide
  • N-(2-(1H-pyrrol-1-yl)ethyl)-6-((tetrahydrothiophen-3-yl)oxy)nicotinamide
  • N-(3-(tert-butyl)isoxazol-5-yl)-2-((tetrahydrothiophen-3-yl)oxy)isonicotinamide
  • Piperidin-1-yl(2-((tetrahydrothiophen-3-yl)oxy)pyridin-4-yl)methanone
  • N-(3-methoxypropyl)-2-((tetrahydrothiophen-3-yl)oxy)isonicotinamide
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