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3-Iodobenzonitrile

3-Iodobenzonitrile Basic information
Product Name:3-Iodobenzonitrile
Synonyms:1-CYANO-3-IODOBENZENE;M-IODOBENZONITRILE;3-IODOBENZONITRILE;3-Cyanoiodobenzene;3-Iodobenzonitrile 98%;1-Iodo-3-cyanobenzene;3-Cyano-1-iodobenzene;3-Iodobenzonitrile,97%
CAS:69113-59-3
MF:C7H4IN
MW:229.02
EINECS:
Product Categories:Building Blocks;C6 to C7;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks;Aromatic Nitriles;Nitrile;Iodine Compounds;Nitriles;C6 to C7;Cyanides/Nitriles;Nitrogen Compounds
Mol File:69113-59-3.mol
3-Iodobenzonitrile Structure
3-Iodobenzonitrile Chemical Properties
Melting point 40-43 °C(lit.)
Boiling point 260.1±23.0 °C(Predicted)
density 1.91±0.1 g/cm3(Predicted)
Fp >230 °F
storage temp. Keep in dark place,Sealed in dry,Room Temperature
solubility soluble in Methanol
form powder to crystal
color White to Light yellow to Dark green
Sensitive Light Sensitive
CAS DataBase Reference69113-59-3(CAS DataBase Reference)
Safety Information
Hazard Codes Xn,Xi
Risk Statements 36/37/38-20/21/22
Safety Statements 36/37/39-26-37/39-24/25
RIDADR 3439
WGK Germany 3
Hazard Note Irritant
HazardClass 6.1
PackingGroup III
HS Code 29269090
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
3-Iodobenzonitrile Usage And Synthesis
Chemical Propertieswhite to off-white crystals
Usessuzuki reaction
Uses3-Iodobenzonitrile may be used as a starting reagent in the synthesis of tetrachloroisophthalo-[14C]-nitrile (TCIN). It may also be used in the preparation of:
  • 1-(3-iodophenyl)-3-{2-[4-(trifluoromethyl)-1-piperidinyl]ethyl}-2-imidazolidinone
  • piperidine derivative
  • chiral amino acid anilide
Synthesis Reference(s)The Journal of Organic Chemistry, 55, p. 3552, 1990 DOI: 10.1021/jo00298a032
General Description3-Iodobenzonitrile is a halogenated aromatic nitrile. Its standard (ρ° = 0.1MPa) molar enthalpy of formation was determined by combustion calorimetry.
3-Iodobenzonitrile Preparation Products And Raw materials
Preparation Products3-Cyanophenol-->3-(3-Chloro-5-fluorophenyl)benzonitrile-->2-(3-Cyanophenyl)-2,2-difluoroacetic Acid
AKOS B005684 AKOS B005534 3-CHLORO-5-IODOBENZONITRILE 3-BROMO-5-IODOBENZONITRILE 5-iodo-2-methylbenzenecarbonitrile 3-FLUORO-5-IODOBENZONITRILE,5-FLUORO-3-IODOBENZONITRILE AKOS B004184 2-CHLORO-5-IODOBENZONITRILE 3,5-DIIODO-4-HYDROXY BENZONITRILE, [CYANO-14C] AKOS B005540 2-Amino-5-bromo-6-fluoro-3-iodobenzonitrile 4-IODOPHTHALONITRILE 4-HYDROXY-3,5-DIIODOBENZONITRILE BENZOATE AKOS B004219 3,5-DIIODOBENZONITRILE AKOS B005600 2,5-DIIODOBENZONITRILE Ioxynil
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