Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Trifluoromethyl-benzamidine |
EINECS | N/A |
CAS No. | 131472-28-1 | Density | 1.33g/cm3 |
PSA | 49.87000 | LogP | 2.78950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H7F3N2 | Boiling Point | 213.4 °C at 760 mmHg |
Molecular Weight | 188.152 | Flash Point | 82.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Trifluoromethylbenzamidine; |
Article Data | 7 |
The Benzenecarboximidamide,4-(trifluoromethyl)-, with CAS registry number 131472-28-1, belongs to the following product category: Pharmacetical. It has the systematic name of 4-(trifluoromethyl)benzenecarboximidamide. And the chemical formula of this chemical is C8H7F3N2.
Physical properties of Benzenecarboximidamide,4-(trifluoromethyl)-: (1)ACD/LogP: 1.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.38; (4)ACD/LogD (pH 7.4): -0.35; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.81; (8)ACD/KOC (pH 7.4): 1.96; (9)#H bond acceptors: 2; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 15.6 Å2; (13)Index of Refraction: 1.493; (14)Molar Refractivity: 40.83 cm3; (15)Molar Volume: 140.4 cm3; (16)Polarizability: 16.18×10-24cm3; (17)Surface Tension: 33.6 dyne/cm; (18)Density: 1.33 g/cm3; (19)Flash Point: 82.9 °C; (20)Enthalpy of Vaporization: 44.98 kJ/mol; (21)Boiling Point: 213.4 °C at 760 mmHg; (22)Vapour Pressure: 0.164 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1ccc(C(=[N@H])N)cc1
(2)InChI: InChI=1/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)
(3)InChIKey: XFLGYXVBXUAGQV-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H7F3N2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H3,12,13)
(5)Std. InChIKey: XFLGYXVBXUAGQV-UHFFFAOYSA-N