Benzonitrile,3-fluoro-2-formyl- supplier

Name
2-CYANO-6-FLUOROBENZALDEHYDE
EINECS
CAS No. 887266-95-7
Density 1.25g/cm³
Solubility
Melting Point
Formula C₈H₄FNO
Boiling Point 278.9 °C at 760 mmHg
Molecular Weight 149.124
Flash Point 122.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols T
Synonyms 2-CYANO-6-FLUOROBENZALDEHYDE;3-Fluoro-2-forMylbenzonitrile
PSA 40.86000
LogP 1.50988

Benzonitrile,3-fluoro-2-formyl- Specification

The Benzonitrile,3-fluoro-2-formyl-, with CAS registry number 887266-95-7, has the systematic name of 3-fluoro-2-formylbenzonitrile. Besides this, it is also called 2-Cyano-6-fluorobenzaldehyde. Its molecular weight is 149.12. And the chemical formula of this chemical is C₈H₄FNO.

Physical properties of Benzonitrile,3-fluoro-2-formyl-: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 6.29; (6)ACD/BCF (pH 7.4): 6.29; (7)ACD/KOC (pH 5.5): 129.78; (8)ACD/KOC (pH 7.4): 129.78; (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: 122.5 °C; (20)Enthalpy of Vaporization: 51.76 kJ/mol; (21)Boiling Point: 278.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00415 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=Cc1c(C#N)cccc1F
(2)InChI: InChI=1/C8H4FNO/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3,5H
(3)InChIKey: HNOBFDBEJGASHB-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C8H4FNO/c9-8-3-1-2-6(4-10)7(8)5-11/h1-3,5H
(5)Std. InChIKey: HNOBFDBEJGASHB-UHFFFAOYSA-N

Product Name

2-CYANO-6-FLUOROBENZALDEHYDE

Benzonitrile,3-fluoro-2-formyl- Specification

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