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Basic Information
CAS No.: 33561-24-9
Name: 3-Amino-4,4,4-trifluoro-2-butenenitrile
Molecular Structure:
Molecular Structure of 33561-24-9 (3-Amino-4,4,4-trifluoro-2-butenenitrile)
Formula: C4H3F3N2
Molecular Weight: 136.076
Synonyms: 3-amino-4,4,4-trifluorobut-2-enonitrile;3-aminobut-2-enenitrile;3-AMINO-4,4,4-TRIFLUORO-2-BUTENENITRILE;
Density: 1.342 g/cm3
Boiling Point: 286.888 °C at 760 mmHg
Flash Point: 127.306 °C
PSA: 49.81000
LogP: 1.61518
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Specification

The CAS register number of 3-Amino-4,4,4-trifluoro-2-butenenitrile is 33561-24-9. The systematic name about this chemical is (2Z)-3-amino-4,4,4-trifluorobut-2-enenitrile. The molecular formula about this chemical is C4H3F3N2 and the molecular weight is 136.08.

Physical properties about 3-Amino-4,4,4-trifluoro-2-butenenitrile are: (1)ACD/LogP: -0.10; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 41; (5)ACD/BCF (pH 7.4): 41; (6)ACD/KOC (pH 5.5): 495; (7)ACD/KOC (pH 7.4): 495; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 49.81Å2; (12)Index of Refraction: 1.396; (13)Molar Refractivity: 24.387 cm3; (14)Molar Volume: 101.43 cm3; (15)Polarizability: 9.668x10-24cm3; (16)Surface Tension: 29.126 dyne/cm; (17)Enthalpy of Vaporization: 52.603 kJ/mol; (18)Boiling Point: 286.888 °C at 760 mmHg; (19)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)C(\N)=C\C#N
(2)InChI: InChI=1/C4H3F3N2/c5-4(6,7)3(9)1-2-8/h1H,9H2/b3-1-
(3)InChIKey: KPJCZLYKGPDZAX-IWQZZHSRBU
(4)Std. InChI: InChI=1S/C4H3F3N2/c5-4(6,7)3(9)1-2-8/h1H,9H2/b3-1-
(5)Std. InChIKey: KPJCZLYKGPDZAX-IWQZZHSRSA-N