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Name |
2,3-Difluoro-5-methylbenzonitrile |
EINECS | N/A |
CAS No. | 1003712-18-2 | Density | 1.217 g/cm3 |
PSA | 23.79000 | LogP | 2.14488 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5F2N | Boiling Point | 214.779 °C at 760 mmHg |
Molecular Weight | 153.13 | Flash Point | 83.696 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Sodium perborate7632-04-4;2,3-Difluoro-5-Methylbenzonitrile;Benzonitrile, 2,3-difluoro-5-methyl- |
The 2,3-Difluoro-5-methylbenzonitrile, with the CAS registry number 1003712-18-2, is also known as Benzonitrile, 2,3-difluoro-5-methyl-. It belongs to the product category of Fluorin-contained Benzonitrile series. This chemical's molecular formula is C8H5F2N and molecular weight is 153.13. What's more, its systematic name is 2,3-Difluoro-5-methylbenzonitrile.
Physical properties of 2,3-Difluoro-5-methylbenzonitrile are: (1)ACD/LogP: 1.688; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.69; (4)ACD/LogD (pH 7.4): 1.69; (5)ACD/BCF (pH 5.5): 11.30; (6)ACD/BCF (pH 7.4): 11.30; (7)ACD/KOC (pH 5.5): 197.48; (8)ACD/KOC (pH 7.4): 197.48; (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: 1.486; (14)Molar Refractivity: 36.168 cm3; (15)Molar Volume: 125.849 cm3; (16)Polarizability: 14.338×10-24cm3; (17)Surface Tension: 34.95 dyne/cm; (18)Density: 1.217 g/cm3; (19)Flash Point: 83.696 °C; (20)Enthalpy of Vaporization: 45.111 kJ/mol; (21)Boiling Point: 214.779 °C at 760 mmHg; (22)Vapour Pressure: 0.2 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C#N)cc(C)cc1F
(2)Std. InChI: InChI=1S/C8H5F2N/c1-5-2-6(4-11)8(10)7(9)3-5/h2-3H,1H3
(3)Std. InChIKey: YHCHCXBCEMMYSF-UHFFFAOYSA-N