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Cas Database |
| Name |
4-Iodophenylacetonitrile |
EINECS | -0 |
| CAS No. | 51628-12-7 | Density | 1.764 g/cm3 |
| PSA | 23.79000 | LogP | 2.35728 |
| Solubility | Insoluble in water | Melting Point |
53-57 °C(lit.) |
| Formula | C8H6 I N | Boiling Point | 285.8 °C at 760 mmHg |
| Molecular Weight | 243.047 | Flash Point | 126.6 °C |
| Transport Information | UN 3335 | Appearance | N/A |
| Safety | 36/37 | Risk Codes | R22;R43 |
| Molecular Structure |
|
Hazard Symbols |
|
| Synonyms |
Acetonitrile,(p-iodophenyl)- (6CI,7CI); 4-Cyanomethylphenyl iodide;4-Iodophenylacetonitrile; p-Iodophenylacetonitrile |
Article Data | 11 |
4-Iodophenylacetonitrile Chemical Properties
IUPAC Name: 2-(4-iodophenyl)acetonitrile
Empirical Formula: C8H6IN
Molecular Weight: 243.0444g/mol
Structure of 4-Iodophenylacetonitrile (CAS NO.51628-12-7):
Index of Refraction: 1.624
Molar Refractivity: 48.62 cm3
Molar Volume: 137.7 cm3
Polarizability: 19.27×10-24cm3
Surface Tension: 50.8 dyne/cm
Density: 1.764 g/cm3
Flash Point: 126.6 °C
Enthalpy of Vaporization: 52.48 kJ/mol
Melting Point: 53-57 °C(lit.)
Boiling Point: 285.8 °C at 760 mmHg
Vapour Pressure: 0.00275 mmHg at 25°C
Canonical SMILES: C1=CC(=CC=C1CC#N)I
InChI: InChI=1S/C8H6IN/c9-8-3-1-7(2-4-8)5-6-10/h1-4H,5H2
InChIKey: PNXWQTYSBFGIFD-UHFFFAOYSA-N
4-Iodophenylacetonitrile Safety Profile
Hazard Codes: 
Xn,
Xi
Risk Statements: 22-43
R22:Harmful if swallowed.
R43:May cause sensitization by skin contact.
Safety Statements: 36/37
S36/37:Wear suitable protective clothing and gloves.
RIDADR: 3276
WGK Germany: 3
HazardClass: 6.1
PackingGroup: III
4-Iodophenylacetonitrile Specification
4-Iodophenylacetonitrile , its cas register number is 51628-12-7. It also can be called Benzeneacetonitrile, 4-iodo- ; 4-Iodobenzyl cyanide . 4-Iodophenylacetonitrile (CAS NO.51628-12-7) is harmful if swallowed. And it may cause sensitization by skin contact.
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