| Identification | More | [Name]
4-Iodobenzonitrile | [CAS]
3058-39-7 | [Synonyms]
4-IODOBENZONITRILE
P-IODOBENZONITRILE
4-iodo-benzonitril
Benzonitrile, p-iodo-
p-Cyanoiodobenzene
4-Cyanoiodobenzene
4-IODO-1-CYANOBENZENE
1-Cyano-4-iodobenzene
4-Cyanophenyl iodide
4-Iodocyanobenzene
p-Cyanophenyl iodide
1-Iodo-4-cyanobenzene | [Molecular Formula]
C7H4IN | [MDL Number]
MFCD00051310 | [Molecular Weight]
229.02 | [MOL File]
3058-39-7.mol |
| Chemical Properties | Back Directory | [Appearance]
light yellow crystal powder | [Melting point ]
124-128 °C(lit.)
| [Boiling point ]
271.6±23.0 °C(Predicted) | [density ]
1.9241 (estimate) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
Powder or Chunks | [color ]
Light yellow-brown | [Water Solubility ]
Insoluble in water. | [Sensitive ]
Light Sensitive | [InChI]
InChI=1S/C7H4IN/c8-7-3-1-6(5-9)2-4-7/h1-4H | [InChIKey]
XOKDXPVXJWTSRM-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC=C(I)C=C1 | [CAS DataBase Reference]
3058-39-7(CAS DataBase Reference) | [NIST Chemistry Reference]
Benzonitrile, 4-iodo-(3058-39-7) | [EPA Substance Registry System]
3058-39-7(EPA Substance) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R20/21/22:Harmful by inhalation, in contact with skin and if swallowed . | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [RIDADR ]
3439 | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [TSCA ]
Yes | [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
29269090 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Chemical Properties]
light yellow crystal powder | [Uses]
suzuki reaction | [Synthesis Reference(s)]
Synthetic Communications, 18, p. 1327, 1988 DOI: 10.1080/00397918808078799
Tetrahedron Letters, 35, p. 5539, 1994 DOI: 10.1016/S0040-4039(00)77241-8 | [Synthesis]
A mixed solvent consisting of 0.2 mmol p-iodophenylacetic acid, 0.33 mmol cuprous bromide, 1.0 mL of acetonitrile and DMAc was added to the reactor (volume ratio [2:1]). The reaction was heated to 120 °C under oxygen with continuous stirring for 34 h. |
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