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Name |
Benzonitrile, 3-acetyl-2,6-dichloro-5-fluoro- |
EINECS | N/A |
CAS No. | 466639-57-6 | Density | 1.47 g/cm3 |
PSA | 40.86000 | LogP | 3.20678 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H4Cl2FNO | Boiling Point | 339.7 °C at 760 mmHg |
Molecular Weight | 232.0386 | Flash Point | 159.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Acetyl-2, 6-dichloro-5-fluoro-benzonitrile; |
The Benzonitrile, 3-acetyl-2, 6-dichloro-5-fluoro- has CAS registry number 466639-57-6. This chemical's molecular formula is C9H4Cl2FNO and molecular weight is 232.0386. What's more, its systematic name is called 3-Acetyl-2, 6-dichloro-5-fluoro-benzonitrile.
Physical properties about Benzonitrile, 3-acetyl-2, 6-dichloro-5-fluoro- are: (1)ACD/LogP: 2.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.14; (4)ACD/LogD (pH 7.4): 2.14; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 40.86 Å2; (9)Index of Refraction: 1.556; (10)Molar Refractivity: 50.45 cm3; (11)Molar Volume: 156.8 cm3; (12)Polarizability: 20×10-24 cm3; (13)Surface Tension: 50.4 dyne/cm; (14)Density: 1.47 g/cm3; (15)Flash Point: 159.2 °C; (16)Enthalpy of Vaporization: 58.32 kJ/mol; (17)Boiling Point: 339.7 °C at 760 mmHg; (18)Vapour Pressure: 9.03E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(=O)c1cc(c(c(c1Cl)C#N)Cl)F
(2) InChI: InChI=1/C9H4Cl2FNO/c1-4(14)5-2-7(12)9(11)6(3-13)8(5)10/h2H,1H3
(3) InChIKey: QDLQGBIPZDLUCU-UHFFFAOYAY