3-Fluoro-5-methylbenzonitrile supplier

Name
3-Fluoro-5-methylbenzonitrile
EINECS
CAS No. 216976-30-6
Article Data2
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point 53-56℃
Formula C₈H₆FN
Boiling Point 212.6 °C at 760 mmHg
Molecular Weight 135.141
Flash Point 88.7 °C
Transport Information UN 3439
Appearance White solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols T
Synonyms 3-Cyano-5-fluorotoluene;5-Fluoro-m-tolunitrile;
PSA 23.79000
LogP 2.00578

3-Fluoro-5-methylbenzonitrile Specification

The Benzonitrile,3-fluoro-5-methyl-, with the CAS registry number 216976-30-6, is also known as 3-Cyano-5-fluorotoluene. It belongs to the product categories of Nitrile; Halide. This chemical's molecular formula is C₈H₆FN and molecular weight is 135.14. What's more, its systematic name is 3-Fluoro-5-methylbenzonitrile. The product should be sealed and stored in containers which are placed in cool, ventilated and dry places. It should be protected from oxides.

Physical properties of Benzonitrile,3-fluoro-5-methyl- are: (1)ACD/LogP: 1.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 1.93; (5)ACD/BCF (pH 5.5): 17.15; (6)ACD/BCF (pH 7.4): 17.15; (7)ACD/KOC (pH 5.5): 266.17; (8)ACD/KOC (pH 7.4): 266.17; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 23.79 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 36.05 cm³; (15)Molar Volume: 121 cm³; (16)Polarizability: 14.29×10^-24cm³; (17)Surface Tension: 37.1 dyne/cm; (18)Density: 1.11 g/cm³; (19)Flash Point: 88.7 °C; (20)Enthalpy of Vaporization: 44.89 kJ/mol; (21)Boiling Point: 212.6 °C at 760 mmHg; (22)Vapour Pressure: 0.171 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=CC(=C1)C#N)F
(2)InChI: InChI=1S/C8H6FN/c1-6-2-7(5-10)4-8(9)3-6/h2-4H,1H3
(3)InChIKey: GKUQCZSZQBEHCP-UHFFFAOYSA-N

Product Name

3-Fluoro-5-methylbenzonitrile

3-Fluoro-5-methylbenzonitrile Specification

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