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| CAS No.: | 216431-85-5 |
|---|---|
| Name: | 6-(Trifluoromethyl)nicotinonitrile |
| Article Data: | 1 |
| Molecular Structure: | |
|
|
|
| Formula: | C7H3F3N2 |
| Molecular Weight: | 172.109 |
| Synonyms: | 2-Trifluoromethylpyridine-5-carbonitrile; |
| EINECS: | -0 |
| Density: | 1.37 g/cm3 |
| Melting Point: | 37-41 °C(lit.) |
| Boiling Point: | 200.8 °C at 760 mmHg |
| Flash Point: | 75.2 °C |
| Hazard Symbols: |
 T+, Xi
|
| Risk Codes: | 28-37/38-41-43 |
| Safety: | 26-28-36/37/39-45 |
| Transport Information: | UN 2811 6.1/PG 2 |
| PSA: | 36.68000 |
| LogP: | 1.97208 |
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Chemistry
Empirical Formula: C7H3F3N2
Molecular Weight: 172.1073g/mol
Structure of 3-Pyridinecarbonitrile,6-(trifluoromethyl)- (CAS NO.216431-85-5):
Index of Refraction: 1.456
Molar Refractivity: 34.1 cm3
Molar Volume: 125.3 cm3
Polarizability: 13.52×10-24cm3
Surface Tension: 37.7 dyne/cm
Density: 1.37 g/cm3
Flash Point: 75.2 °C
Enthalpy of Vaporization: 43.7 kJ/mol
Melting point: 37-41 ºC
Boiling Point: 200.8 °C at 760 mmHg
Vapour Pressure: 0.319 mmHg at 25°C
Product Categories: Pyridine Series;Boron, Nitrile, Thio,& TM-Cpds;Heterocycles;Pyridines;C7 and C8;Heterocyclic Building Blocks
Systematic Name: 6-(trifluoromethyl)pyridine-3-carbonitrile
SMILES: FC(F)(F)c1ncc(C#N)cc1
InChI: InChI=1/C7H3F3N2/c8-7(9,10)6-2-1-5(3-11)4-12-6/h1-2,4H
InChIKey: ZBLULFJVRGVQAW-UHFFFAOYAU
Safety Profile
Hazard Codes: 
T+,
Xi
Risk Statements: 28-37/38-41-43
R28:Very toxic if swallowed.
R37/38:Irritating to respiratory system and skin.
R41:Risk of serious damage to the eyes.
R43:May cause sensitization by skin contact.
Safety Statements: 26-28-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S28:After contact with skin, wash immediately with plenty of soap-suds.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2811 6.1/PG 2
WGK Germany: 3
Hazard Note: Irritant
HazardClass: 6.1
PackingGroup: III
Specification
3-Pyridinecarbonitrile,6-(trifluoromethyl)- , its cas register number is 216431-85-5. It also can be called 6-(Trifluoromethyl)nicotinonitrile ; 6-(trifluoromethyl)pyridine-3-carbonitrile ; 5-Cyano-2-(Trifluoromethyl)Pyridine ; 6-(Trifluoromethyl)nicotinonitrile 98% ; 6-Trifluoromethyl-nicotinonitrile . 3-Pyridinecarbonitrile,6-(trifluoromethyl)- (CAS NO.216431-85-5) is irritating to respiratory system and skin and it's very toxic if swallowed. When you contact with it, the first aid measures and others should be known. Such as: When on the skin, first, you should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly, get medical aid. Or in the eyes, Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. When breathing is difficult, give oxygen. And as soon as to get medical aid.