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| CAS No.: | 2338-75-2 |
|---|---|
| Name: | 4-(Trifluoromethyl)phenylacetonitrile |
| Article Data: | 21 |
| Molecular Structure: | |
|
|
|
| Formula: | C9H6F3N |
| Molecular Weight: | 185.149 |
| Synonyms: | Acetonitrile,(a,a,a-trifluoro-p-tolyl)- (7CI,8CI);(a,a,a-Trifluoro-p-tolyl)acetonitrile; |
| EINECS: | 219-052-2 |
| Density: | 1.241 g/cm3 |
| Melting Point: | 47-49 °C(lit.) |
| Boiling Point: | 246 °C at 760 mmHg |
| Flash Point: | 90.3 °C |
| Solubility: | Insoluble in water |
| Appearance: | white crystalline mass or needles |
| Hazard Symbols: |
 ,  Xi
|
| Risk Codes: | 20/21/22-36/37/38-20/21/22/36/37/38 |
| Safety: | 26-37/39-26/36/37/39-36/37/39 |
| PSA: | 23.79000 |
| LogP: | 2.77148 |
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Chemistry
IUPAC Name: 2-[4-(Trifluoromethyl)phenyl]acetonitrile
Molecular Formula: C9H6F3N
Molecular Weight: 185.1458 g/mol
EINECS: 219-052-2
Melting Point: 47-49 °C(lit.)
Freely Rotating Bonds: 1
Polar Surface Area: 23.79 Å2
Index of Refraction: 1.457
Molar Refractivity: 40.69 cm3
Molar Volume: 149.1 cm3
Polarizability: 16.13 ×10-24 cm3
Surface Tension: 30.1 dyne/cm
Density: 1.241 g/cm3
Flash Point: 90.3 °C
Enthalpy of Vaporization: 48.31 kJ/mol
Boiling Point: 246 °C at 760 mmHg
Vapour Pressure: 0.0278 mmHg at 25 °C
Product categories: Nitrile; C8 to c9; Cyanides/nitriles; Nitrogen compounds
The molecular structure of 4-(Trifluoromethyl)phenylacetonitrile (CAS No.2338-75-2):
Uses
4-(Trifluoromethyl)phenylacetonitrile (CAS No.2338-75-2) can be used in organic synthesis.
Safety Profile
Hazard Codes: 
Xn 
Xi
Risk Statements: 20/21/22-36/37/38-20/21/22/36/37/38
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-26/36/37/39-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39: Wear suitable gloves and eye/face protection.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: 3439
WGK Germany: 3
HazardClass: 6.1
PackingGroup: III
Specification
The chemical synonyms of 4-(Trifluoromethyl)phenylacetonitrile (CAS No.2338-75-2) are 4-(Trifluoromethyl)phenylacetonitrile ; 4-Trifluoromethylbenzylcyanide ; P-Trifluoromethylbenzyl cyanide ; Timtec-bb sbb006690 ; Benzeneacetonitrile, 4-(trifluoromethyl)- ; P-Trifluoromethylphenylacetonitrile ; 4-(Trifluoromethyl)phenylacetonitrile, 9 8% ; 4-(Trifluoromethyl)phenylacetonitrile 98% . 4-(Trifluoromethyl)phenylacetonitrile (CAS No.2338-75-2) is white crystalline mass or needles.