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| CAS No.: | 459-22-3 |
|---|---|
| Name: | 4-Fluorophenylacetonitrile |
| Molecular Structure: | |
|
|
|
| Formula: | C8H6FN |
| Molecular Weight: | 135.141 |
| Synonyms: | p-Fluorobenzyl cyanide;4-09-00-01673 (Beilstein Handbook Reference);4-Fluorobenzyl cyanide;Acetonitrile, (p-fluorophenyl)-;2-(4-fluorophenyl)acetonitrile;(p-Fluorophenyl)acetonitrile;Benzeneacetonitrile, 4-fluoro-;4-Fluorobenzylcyanide;p-Fluorophenylacetonitrile;4-Fluorobenzeneacetonitrile;methyl4-fluorobenzoate; |
| EINECS: | 207-286-8 |
| Density: | 1.127 g/cm3 |
| Melting Point: | 86ºC |
| Boiling Point: | 234.2 °C at 760 mmHg |
| Flash Point: | 108.3 °C |
| Solubility: | insoluble in water |
| Appearance: | Clear, light yellow liquid |
| Hazard Symbols: |
 Xn,  T,  Xi
|
| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36-24/25-26/36/37/39 |
| Transport Information: | UN 3276 6.1/PG 3 |
| PSA: | 23.79000 |
| LogP: | 1.89178 |
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Chemistry
The molecular formula of 4-Fluorophenylacetonitrile(459-22-3) is C8H6FN and its formula weight is 135.14.
The density of 4-Fluorophenylacetonitrile(459-22-3) is 1.126 g/mL at 25 °C(lit.) and it has a boiling point of 119-120 °C18 mm Hg(lit.). The refractive index is about 1.5002(lit.). Its flash point is 227 °F.
The chemical synonyms of 4-Fluorophenylacetonitrile(459-22-3) are P-FLUOROBENZYL CYANIDE;P-FLUOROPHENYLACETONITRILE;PARA-FLUOROBENZYL CYANIDE;(p-fluorophenyl)-acetonitril;4-fluoro-benzeneacetonitril;4-Fluorobenzeneacetonitrile;4-Fluorophenylaceticacidnitrile;Acetonitrile, (p-fluorophenyl)-
The molecular structure of 4-Fluorophenylacetonitrile(459-22-3):
Uses
Used in organic synthesis.
Toxicity Data With Reference
| 1. | ivn-mus LD50:42 mg/kg | CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#07881 . |
Consensus Reports
Safety Profile
Poison by intravenous route. When heated to decomposition it emits very toxic fumes of F−, NOx, and CN−. See also FLUORIDES and NITRILES.
Hazard Codes Xn,T,Xi
Risk Statements 20/21/22-36/37/38-20/21/22/36/37/38
Safety Statements 26-36-24/25-26/36/37/39
RIDADR UN 3276 6.1/PG 3
WGK Germany 3
RTECS AM0210000
Hazard Note Toxic
TSCA T
HazardClass 6.1
PackingGroup III
Specification
Chemical Stability: Not available
Conditions to Avoid: Incompatible materials.
Incompatibilities with Other Materials Strong oxidizing agents.
Hazardous Decomposition Products Carbon monoxide, oxides of nitrogen, carbon dioxide, hydrogen fluoride gas.
Hazardous Polymerization Has not been reported.