1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile supplier

Name
1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile
EINECS
CAS No. 64169-67-1
Article Data14
CAS DataBase
Density 1.292 g/cm³
Solubility
Melting Point 95-97 °C
Formula C₁₅H₁₀FNO
Boiling Point 375.266 °C at 760 mmHg
Molecular Weight 239.249
Flash Point 180.754 °C
Transport Information
Appearance white to light yellow crystal powder
Safety
Risk Codes R22
Molecular Structure
Hazard Symbols
Synonyms 1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile;1-(4-Fluorophenyl)-5-cyanophthalan;5-Cyano-1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran;LU 17-046;
PSA 33.02000
LogP 3.31698

1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile Chemical Properties

IUPAC Name: 1-(4-Fluorophenyl)-1,3-dihydro-2-benzofuran-5-carbonitrile
Synonyms of 1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile (CAS NO.64169-67-1): 5-Isobenzofurancarbonitrile,1-(4-fluorophenyl)-1,3-dihydro- ; 5-Cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran
CAS NO: 64169-67-1
Molecular Formula: C₁₅H₁₀FNO
Molecular Weight: 239.24
Molecular Structure:
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 33.02 Å²
Index of Refraction: 1.62
Molar Refractivity: 65.072 cm³
Molar Volume: 185.235 cm³
Surface Tension: 52.915 dyne/cm
Density: 1.292 g/cm³
Flash Point: 180.754 °C
Enthalpy of Vaporization: 62.276 kJ/mol
Boiling Point: 375.266 °C at 760 mmHg
Vapour Pressure: 0 mmHg at 25°C
Melting Point: 95-97°C
Appearance: white to light yellow crystal powder
SMILES: Fc1ccc(cc1)C3OCc2cc(C#N)ccc23
InChI: InChI=1/C15H10FNO/c16-13-4-2-11(3-5-13)15-14-6-1-10(8-17)7-12(14)9-18-15/h1-7,15H,9H2
InChIKey: YXCRMKYHFFMNPT-UHFFFAOYAN
Std. InChI: InChI=1S/C15H10FNO/c16-13-4-2-11(3-5-13)15-14-6-1-10(8-17)7-12(14)9-18-15/h1-7,15H,9H2
Std. InChIKey: YXCRMKYHFFMNPT-UHFFFAOYSA-N
Product Categories of 1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile (CAS NO.64169-67-1): Aromatic Nitriles;Furan&Benzofuran;Heterocyclic Compounds;Heterocycles;Intermediates & Fine Chemicals;Pharmaceuticals

1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile Uses

1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile (CAS NO.64169-67-1) is used for an intermediate in the synthesis of Citalopram .

Product Name

1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile

1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile Chemical Properties

1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile Uses

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