Products Categories
CAS No.: | 30825-34-4 |
---|---|
Name: | 3-AMINO-5-(TRIFLUOROMETHYL)BENZONITRILE |
Article Data: | 9 |
Molecular Structure: | |
Formula: | C8H5F3N2 |
Molecular Weight: | 301.366 |
Synonyms: | 1,5-Benzothiazepin-4(5H)-one,2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-, trans- (8CI); |
Density: | 1.371 g/cm3 |
Boiling Point: | 279.316 °C at 760 mmHg |
Flash Point: | 122.726 °C |
PSA: | 49.81000 |
LogP: | 2.74048 |
What can I do for you?
Get Best Price
The 1,5-Benzothiazepin-4(5H)-one,2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, trans- (9CI), with the CAS registry number 30825-34-4, is also known as Benzonitrile, 3-amino-5-(trifluoromethyl)-. This chemical's molecular formula is C8H5F3N2 and molecular weight is 186.1339. Its systematic name is called 3-amino-5-(trifluoromethyl)benzonitrile.
Physical properties of 1,5-Benzothiazepin-4(5H)-one,2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-, trans- (9CI): (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 87; (5)ACD/BCF (pH 7.4): 87; (6)ACD/KOC (pH 5.5): 850; (7)ACD/KOC (pH 7.4): 850; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.5; (12)Molar Refractivity: 39.928 cm3; (13)Molar Volume: 135.773 cm3; (14)Surface Tension: 40.713 dyne/cm; (15)Density: 1.371 g/cm3; (16)Flash Point: 122.726 °C; (17)Enthalpy of Vaporization: 51.799 kJ/mol; (18)Boiling Point: 279.316 °C at 760 mmHg; (19)Vapour Pressure: 0.004 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(cc(N)c1)C#N
(2)InChI: InChI=1/C8H5F3N2/c9-8(10,11)6-1-5(4-12)2-7(13)3-6/h1-3H,13H2
(3)InChIKey: UMUDGXVSXIXLCF-UHFFFAOYAY