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1483-44-9

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Basic Information
CAS No.: 1483-44-9
Name: 2,5-DICYANOBENZOTRIFLUORIDE
Article Data: 3
Molecular Structure:
Molecular Structure of 1483-44-9 (2,5-DICYANOBENZOTRIFLUORIDE)
Formula: C9H3F3N2
Molecular Weight: 196.13
Synonyms: Terephthalonitrile,(trifluoromethyl)- (7CI);
Density: 1.37 g/cm3
Melting Point: 113-114 °C (sublm)
Boiling Point: 295.092 °C at 760 mmHg
Flash Point: 132.267 °C
Hazard Symbols: ToxicT
Risk Codes: 20/21/22-36/37/38
Safety: 26-36/37/39
PSA: 47.58000
LogP: 2.44876
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Specification

The 1,4-Benzenedicarbonitrile,2-(trifluoromethyl)-, with the CAS registry number 1483-44-9, is also known as 2,5-Dicyanobenzotrifluoride. It belongs to the product category of Nitrile. This chemical's molecular formula is C9H3F3N2 and molecular weight is 196.13. Its systematic name is called 2-(trifluoromethyl)benzene-1,4-dicarbonitrile.

Physical properties of 1,4-Benzenedicarbonitrile,2-(trifluoromethyl)-: (1)ACD/LogP: 2.27; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 31; (5)ACD/BCF (pH 7.4): 31; (6)ACD/KOC (pH 5.5): 410; (7)ACD/KOC (pH 7.4): 410; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.487; (10)Molar Refractivity: 40.878 cm3; (11)Molar Volume: 142.228 cm3; (12)Surface Tension: 42.274 dyne/cm; (13)Density: 1.379 g/cm3; (14)Flash Point: 132.267 °C; (15)Enthalpy of Vaporization: 53.478 kJ/mol; (16)Boiling Point: 295.092 °C at 760 mmHg; (17)Vapour Pressure: 0.002 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical that at low level can cause damage to health. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(ccc1C#N)C#N
(2)InChI: InChI=1/C9H3F3N2/c10-9(11,12)8-3-6(4-13)1-2-7(8)5-14/h1-3H
(3)InChIKey: DUUMYHFOWOROMS-UHFFFAOYAV