2-Cyano-4-fluorobenzaldehyde supplier

Name
2-CYANO-4-FLUOROBENZALDEHYDE
EINECS
CAS No. 77532-90-2
Article Data3
CAS DataBase
Density 1.25 g/cm³
Solubility
Melting Point 120-122 °C
Formula C₈H₄FNO
Boiling Point 286.3 °C at 760 mmHg
Molecular Weight 149.124
Flash Point 126.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 5-fluoro-2-formylbenzonitrile;benzonitrile, 5-fluoro-2-formyl-;5-fluoro-2-formylbenzenecarbonitrile;
PSA 40.86000
LogP 1.50988

2-Cyano-4-fluorobenzaldehyde Specification

The Benzonitrile,5-fluoro-2-formyl-, with the CAS registry number 77532-90-2, has the systematic name and IUPAC name of 5-fluoro-2-formylbenzonitrile. It belongs to the product categories of Halide and Aldehyde. And the molecular formula of the chemical is C₈H₄FNO.

The characteristics of Benzonitrile,5-fluoro-2-formyl- are as followings: (1)ACD/LogP: 1.08; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.08; (4)ACD/LogD (pH 7.4): 1.08; (5)ACD/BCF (pH 5.5): 3.88; (6)ACD/BCF (pH 7.4): 3.88; (7)ACD/KOC (pH 5.5): 91.77; (8)ACD/KOC (pH 7.4): 91.77; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.86 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 36.4 cm³; (15)Molar Volume: 118.3 cm³; (16)Polarizability: 14.43×10^-24cm³; (17)Surface Tension: 45.5 dyne/cm; (18)Density: 1.25 g/cm³; (19)Flash Point: 126.9 °C; (20)Enthalpy of Vaporization: 52.54 kJ/mol; (21)Boiling Point: 286.3 °C at 760 mmHg; (22)Vapour Pressure: 0.00266 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=Cc1ccc(F)cc1C#N
(2)InChI: InChI=1/C8H4FNO/c9-8-2-1-6(5-11)7(3-8)4-10/h1-3,5H
(3)InChIKey: BCALQXIOWJBFIQ-UHFFFAOYAB

Product Name

2-CYANO-4-FLUOROBENZALDEHYDE

2-Cyano-4-fluorobenzaldehyde Specification

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