Benzonitrile, 3-acetyl-2,6-dichloro-5-fluoro- supplier

Name
3-acetyl-2,6-dichloro-5-fluoro-benzonitrile
EINECS
CAS No. 466639-57-6
Density 1.47 g/cm³
Solubility
Melting Point
Formula C₉H₄Cl₂FNO
Boiling Point 339.7 °C at 760 mmHg
Molecular Weight 232.0386
Flash Point 159.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Acetyl-2, 6-dichloro-5-fluoro-benzonitrile;
PSA 40.86000
LogP 3.20678

Benzonitrile, 3-acetyl-2,6-dichloro-5-fluoro- Specification

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

Product Name

3-acetyl-2,6-dichloro-5-fluoro-benzonitrile

Benzonitrile, 3-acetyl-2,6-dichloro-5-fluoro- Specification

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