CAS No.114040-50-5,3,4-DIFLUORO-BENZAMIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	114040-50-5
Name:	3,4-DIFLUORO-BENZAMIDINE

Formula:	C₇H₆F₂N₂
Molecular Weight:	156.135
Synonyms:	3,4-Difluorobenzenecarboximidamide;3,4-Difluoro-benzamidine;
Density:	1.34 g/cm³
Boiling Point:	210.5 °C at 760 mmHg
Flash Point:	81.1 °C
PSA:	49.87000
LogP:	2.04890

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Specification

The CAS register number of Benzenecarboximidamide,3,4-difluoro- is 114040-50-5. It also can be called as 3,4-Difluoro-benzamidine and the IUPAC name about this chemical is 3,4-difluorobenzenecarboximidamide. The molecular formula about this chemical is C₇H₆F₂N₂ and the molecular weight is 156.13. It belongs to the following product category which includes pharmacetical.

Physical properties about Benzenecarboximidamide,3,4-difluoro- are: (1)ACD/LogP: 1.03; (2)ACD/LogD (pH 5.5): -0.97; (3)ACD/LogD (pH 7.4): -0.95; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 15.6 Å²; (12)Index of Refraction: 1.529; (13)Molar Refractivity: 35.82 cm³; (14)Molar Volume: 115.9 cm³; (15)Polarizability: 14.2x10^-24cm³; (16)Surface Tension: 36.2 dyne/cm; (17)Density: 1.34 g/cm³; (18)Flash Point: 81.1 °C; (19)Enthalpy of Vaporization: 44.68 kJ/mol; (20)Boiling Point: 210.5 °C at 760 mmHg; (21)Vapour Pressure: 0.192 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(C(=[N@H])N)cc1F
(2)InChI: InChI=1/C7H6F2N2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H3,10,11)
(3)InChIKey: FNIWQASUVMMYGX-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C7H6F2N2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H3,10,11)
(5)Std. InChIKey: FNIWQASUVMMYGX-UHFFFAOYSA-N