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| CAS No.: | 198633-76-0 |
|---|---|
| Name: | 2-FLUORO-6-METHYLBENZONITRILE |
| Article Data: | 8 |
| Molecular Structure: | |
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| Formula: | C8H6FN |
| Molecular Weight: | 135.141 |
| Synonyms: | 6-Fluoro-o-tolunitrile; |
| Density: | 1.12 g/cm3 |
| Melting Point: | 39-46 °C |
| Boiling Point: | 207.4 °C at 760 mmHg |
| Flash Point: | 85.2 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 37/38-41 |
| Safety: | 26-39 |
| PSA: | 23.79000 |
| LogP: | 2.00578 |
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Specification
The CAS register number of Benzonitrile,2-fluoro-6-methyl- is 198633-76-0. It also can be called as 6-Fluoro-o-tolunitrile and the systematic name about this chemical is 2-fluoro-6-methylbenzonitrile. The molecular formula about this chemical is C8H6FN and the molecular weight is 135.1383. It belongs to the following product categories which include Benzene nitrile; C8 to C9; Cyanides/Nitriles; Nitrogen Compounds and so on.
Physical properties about Benzonitrile,2-fluoro-6-methyl- are: (1)ACD/LogP: 1.97; (2)ACD/LogD (pH 5.5): 1.97; (3)ACD/LogD (pH 7.4): 1.97; (4)ACD/BCF (pH 5.5): 18.4; (5)ACD/BCF (pH 7.4): 18.4; (6)ACD/KOC (pH 5.5): 279.84; (7)ACD/KOC (pH 7.4): 279.84; (8)#H bond acceptors: 1; (9)Polar Surface Area: 23.79Å2; (10)Index of Refraction: 1.507; (11)Molar Refractivity: 36.05 cm3; (12)Molar Volume: 121 cm3; (13)Polarizability: 14.29x10-24cm3; (14)Surface Tension: 37.1 dyne/cm; (15)Flash Point: 85.2 °C; (16)Enthalpy of Vaporization: 44.37 kJ/mol; (17)Boiling Point: 207.4 °C at 760 mmHg; (18)Vapour Pressure: 0.226 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to respiratory system and skin. It has risk of serious damage to the eyes. When you are using it, wear eye / face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c(C)cccc1F
(2)InChI: InChI=1/C8H6FN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3
(3)InChIKey: UCSKOUQDVWADGZ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C8H6FN/c1-6-3-2-4-8(9)7(6)5-10/h2-4H,1H3
(5)Std. InChIKey: UCSKOUQDVWADGZ-UHFFFAOYSA-N