2-Amino-2-(4-fluorophenyl)acetonitrile supplier

Name
2-AMINO-2-(4'-FLUOROPHENYL)ACETONITRILE
EINECS
CAS No. 56464-70-1
Article Data6
CAS DataBase
Density 1.208 g/cm³
Solubility
Melting Point 155-157 °C
Formula C₈H₇FN₂
Boiling Point 237.6 °C at 760 mmHg
Molecular Weight 150.155
Flash Point 97.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols T
Synonyms 2-Amino-2-(p-fluorophenyl)acetonitrile;[(Cyano)(4-fluorophenyl)methyl]amine;α-Amino-4-fluorobenzeneacetonitrile;Amino(4-fluorophenyl)acetonitrile;
PSA
LogP

2-Amino-2-(4-fluorophenyl)acetonitrile Specification

The CAS registry number of Benzeneacetonitrile, a-amino-4-fluoro- is 56464-70-1. The IUPAC name is 2-amino-2-(4-fluorophenyl)acetonitrile. In addition, the molecular formula is C₈H₇FN₂ and the molecular weight is 150.15. What's more, it should be stored in a cool and dry place.

Physical properties about this chemical are: (1)ACD/LogP: 0.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.71; (4)ACD/LogD (pH 7.4): 0.75; (5)ACD/BCF (pH 5.5): 1.97; (6)ACD/BCF (pH 7.4): 2.21; (7)ACD/KOC (pH 5.5): 54.87; (8)ACD/KOC (pH 7.4): 61.28; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 27.03 Å²; (13)Index of Refraction: 1.544; (14)Molar Refractivity: 39.24 cm³; (15)Molar Volume: 124.2 cm³; (16)Polarizability: 15.55 ×10^-24cm³; (17)Surface Tension: 47.9 dyne/cm; (18)Density: 1.208 g/cm³; (19)Flash Point: 97.5 °C; (20)Enthalpy of Vaporization: 47.44 kJ/mol; (21)Boiling Point: 237.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0445 mmHg at 25°C.

Uses of Benzeneacetonitrile, a-amino-4-fluoro-: it can react with artesunic acid to get succinic acid 12a-deoxoartemisinyl ester cyano-4'-fluorophenylmethylamide. This reaction will need reagents N,N'-dicyclohexylcarbodiimide and 4-N,N-dimethylaminopyridine and solvent CH₂Cl₂. The reaction time is 4 hours at reaction temperature of 20 °C. The yield is about 37%.

Benzeneacetonitrile, a-amino-4-fluoro- can react with artesunic acid to get succinic acid 12a-deoxoartemisinyl ester cyano-4'-fluorophenylmethylamide

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C(C#N)N
(2)InChI: InChI=1/C8H7FN2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8H,11H2
(3)InChIKey: HAEXHZOJAUQXNI-UHFFFAOYAQ

Product Name

2-AMINO-2-(4'-FLUOROPHENYL)ACETONITRILE

2-Amino-2-(4-fluorophenyl)acetonitrile Specification

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