4-Trifluoromethyl-benzamidine supplier

Name
4-Trifluoromethyl-benzamidine
EINECS
CAS No. 131472-28-1
Article Data7
CAS DataBase
Density 1.33g/cm³
Solubility
Melting Point
Formula C₈H₇F₃N₂
Boiling Point 213.4 °C at 760 mmHg
Molecular Weight 188.152
Flash Point 82.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Trifluoromethylbenzamidine;
PSA 49.87000
LogP 2.78950

4-Trifluoromethyl-benzamidine Specification

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

Product Name

4-Trifluoromethyl-benzamidine

4-Trifluoromethyl-benzamidine Specification

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