CAS No.65896-16-4,Romifidine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	65896-16-4
Name:	Romifidine
Article Data:	3

Formula:	C₉H₉BrFN₃
Molecular Weight:	258.093
Synonyms:	1H-Imidazol-2-amine,N-(2-bromo-6-fluorophenyl)- 4,5-dihydro-;Romifidine;2-(2-Bromo-6-fluoroanilino)-2-imidazoline;
Density:	1.72 g/cm³
Melting Point:	110 °C
Boiling Point:	303.2 °C at 760 mmHg
Flash Point:	137.2 °C
PSA:	36.42000
LogP:	1.79670

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Specification

The IUPAC name of this chemical is N-(2-bromo-6-fluoro-phenyl)-4,5-dihydro-1H-imidazol-2-amine. With the CAS registry number 65896-16-4, it is also named as 2-(2-Bromo-6-fluoroanilino)-2-imidazoline. In addition, the molecular formula is C₉H₉BrFN₃ and the molecular weight is 258.09. It should be stored in a cool and dry place.

Physical properties about N-(2-bromo-6-fluoro-phenyl)-4,5-dihydro-1H-imidazol-2-amine are: (1)ACD/LogP: 1.02; (2)ACD/LogD (pH 5.5): -0.95; (3)ACD/LogD (pH 7.4): -0.21; (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): 5.01; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 18.84 Å²; (12)Index of Refraction: 1.661; (13)Molar Refractivity: 55.51 cm³; (14)Molar Volume: 150 cm³; (15)Polarizability: 22 ×10^-24cm³; (16)Surface Tension: 48.1 dyne/cm; (17)Density: 1.72 g/cm³; (18)Flash Point: 137.2 °C; (19)Enthalpy of Vaporization: 54.35 kJ/mol; (20)Boiling Point: 303.2 °C at 760 mmHg; (21)Vapour Pressure: 0.000944 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(c(Br)ccc1)N/C2=N/CCN2
(2)InChI: InChI=1/C9H9BrFN3/c10-6-2-1-3-7(11)8(6)14-9-12-4-5-13-9/h1-3H,4-5H2,(H2,12,13,14)
(3)InChIKey: KDPNLRQZHDJRFU-UHFFFAOYAQ