Basic Information | Post buying leads | Suppliers |
Name |
4,5-Difluoro-2-methylbenzonitrile |
EINECS | N/A |
CAS No. | 1003708-82-4 | Density | 1.217 g/cm3 |
PSA | 23.79000 | LogP | 2.14488 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5F2N | Boiling Point | 214.288 °C at 760 mmHg |
Molecular Weight | 153.13 | Flash Point | 83.399 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Benzonitrile, 4,5-difluoro-2-methyl-;4,5-Difluoro-2-methylbenzenecarbonitrile; |
4,5-Difluoro-2-methylbenzonitrile is an organic compound with the formula C8H5F2N, and its systematic name is the same with the product name. With the CAS registry number 1003708-82-4, it is also named as Benzonitrile, 4,5-difluoro-2-methyl-. It belongs to the product category of Fluorin-contained Benzonitrile series. In addition, the molecular weight is 153.13.
Physical properties of 4,5-Difluoro-2-methylbenzonitrile are: (1)ACD/LogP: 1.878; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.88; (5)ACD/BCF (pH 5.5): 15.76; (6)ACD/BCF (pH 7.4): 15.76; (7)ACD/KOC (pH 5.5): 250.55; (8)ACD/KOC (pH 7.4): 250.55; (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: 83.399 °C; (20)Enthalpy of Vaporization: 45.062 kJ/mol; (21)Boiling Point: 214.288 °C at 760 mmHg; (22)Vapour Pressure: 0.157 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(C#N)c(C)cc1F
(2)Std. InChI: InChI=1S/C8H5F2N/c1-5-2-7(9)8(10)3-6(5)4-11/h2-3H,1H3
(3)Std. InChIKey: NEUWJWYFYDQUMY-UHFFFAOYSA-N