4-Fluoro-2-methylbenzonitrile supplier

Name
4-Fluoro-2-methylbenzonitrile
EINECS
CAS No. 147754-12-9
Article Data15
CAS DataBase
Density 1.11 g/cm³
Solubility
Melting Point 70-74 °C
Formula C₈H₆FN
Boiling Point 214.6 °C at 760 mmHg
Molecular Weight 135.141
Flash Point 90 °C
Transport Information UN 3439
Appearance White to light yellow crystalline powder
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi,T
Synonyms Benzonitrile,4-fluoro-2-methyl-;2-Methyl-4-fluorobenzonitrile;
PSA 23.79000
LogP 2.00578

4-Fluoro-2-methylbenzonitrile Specification

This product is an organic compound with the formula C₈H₆FN. It belongs to the product categories of Nitrile; Miscellaneous; Fluorine Compounds; Nitriles; C8 to C9; Cyanides/Nitriles; Nitrogen Compounds. The IUPAC name of this chemical is 4-Fluoro-2-methylbenzonitrile. With the CAS registry number 147754-12-9, it is also named as Benzonitrile,4-fluoro-2-methyl-. In addition, the molecular weight is 135.14. It should be sealed and stored in a cool, ventilated and dry place. Moreover, it should be protected from oxides.

Physical properties of 4-Fluoro-2-methylbenzonitrile are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 23.79 Å²; (7)Index of Refraction: 1.507; (8)Molar Refractivity: 36.05 cm³; (9)Molar Volume: 121 cm³; (10)Polarizability: 14.29×10^-24cm³; (11)Surface Tension: 37.1 dyne/cm; (12)Density: 1.11 g/cm³; (13)Flash Point: 90 °C; (14)Enthalpy of Vaporization: 45.09 kJ/mol; (15)Boiling Point: 214.6 °C at 760 mmHg; (16)Vapour Pressure: 0.154 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

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

Product Name

4-Fluoro-2-methylbenzonitrile

4-Fluoro-2-methylbenzonitrile Specification

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