CAS No.83783-69-1,2-AMINO-1-((4-FLUOROPHENYL)METHYL)BENZI& Suppliers

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Basic Information

Molecular Structure:
CAS No.:	83783-69-1
Name:	2-AMINO-1-((4-FLUOROPHENYL)METHYL)BENZI&
Article Data:	7

Formula:	C₁₄H₁₂FN₃
Molecular Weight:	241.268
Synonyms:	1-(4-Fluorobenzyl)-2-aminobenzimidazole;1-(4-Fluorophenylmethyl)-2-aminobenzimidazole;2-Amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole;1-[(4-Fluorophenyl)methyl]benzimidazol-2-amine;
EINECS:	280-803-2
Density:	1.28 g/cm³
Boiling Point:	456.7 °C at 760 mmHg
Flash Point:	230 °C
PSA:	43.84000
LogP:	3.38710

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Specification

The 1H-Benzimidazol-2-amine,1-[(4-fluorophenyl)methyl]-, with the CAS registry number 83783-69-1, is also known as 2-Amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole. Its EINECS number is 280-803-2. This chemical's molecular formula is C₁₄H₁₂FN₃ and molecular weight is 241.26. What's more, its IUPAC name is 1-[(4-fluorophenyl)methyl]benzimidazol-2-amine.

Physical properties of 1H-Benzimidazol-2-amine,1-[(4-fluorophenyl)methyl]- are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): 2.63; (5)ACD/BCF (pH 5.5): 2.21; (6)ACD/BCF (pH 7.4): 53.53; (7)ACD/KOC (pH 5.5): 22.17; (8)ACD/KOC (pH 7.4): 535.83; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.06 Å²; (13)Index of Refraction: 1.647; (14)Molar Refractivity: 68.21 cm³; (15)Molar Volume: 187.6 cm³; (16)Polarizability: 27.04×10^-24cm³; (17)Surface Tension: 47.1 dyne/cm; (18)Density: 1.28 g/cm³; (19)Flash Point: 230 °C; (20)Enthalpy of Vaporization: 71.67 kJ/mol; (21)Boiling Point: 456.7 °C at 760 mmHg; (22)Vapour Pressure: 1.58E-08 mmHg at 25°C.

Uses of 1H-Benzimidazol-2-amine,1-[(4-fluorophenyl)methyl]-: it can be used to produce benzo[1,3]dioxol-5-ylmethylene-[1-(4-fluoro-benzyl)-1H-benzoimidazol-2-yl]-amine by heating. It will need solvent toluene with the reaction time of 24 hours. The yield is about 85%.

1H-Benzimidazol-2-amine,1-[(4-fluorophenyl)methyl]- can be used to produce benzo[1,3]dioxol-5-ylmethylene-[1-(4-fluoro-benzyl)-1H-benzoimidazol-2-yl]-amine by heating

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)F)N
(2)InChI: InChI=1S/C14H12FN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)
(3)InChIKey: XEARVXVLEKCISU-UHFFFAOYSA-N