Benzenepropanenitrile,2,6-dichloro-b-oxo- supplier

Name
3-(2,6-dichlorophenyl)-3-oxopropiononitrile
EINECS 275-488-3
CAS No. 71463-50-8
Article Data4
CAS DataBase
Density 1.383g/cm³
Solubility
Melting Point 62-64 °C(Solv: ethyl ether (60-29-7))
Formula C₉H₅Cl₂NO
Boiling Point 307.9 °C at 760 mmHg
Molecular Weight 214.051
Flash Point 140 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-(2,6-Dichlorophenyl)-3-oxopropanenitrile;3-(2,6-Dichlorophenyl)-3-oxopropionitrile;
PSA 40.86000
LogP 3.08978

Benzenepropanenitrile,2,6-dichloro-b-oxo- Specification

The Benzenepropanenitrile,2,6-dichloro-b-oxo-, with CAS registry number 71463-50-8, has the systematic name of 3-(2,6-dichlorophenyl)-3-oxopropanenitrile. Besides this, it is also called 2,6-Dichlorobenzoylacetonitrile. And the chemical formula of this chemical is C₉H₅Cl₂NO. What's more, its EINECS is 275-488-3.

Physical properties of Benzenepropanenitrile,2,6-dichloro-b-oxo-: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.25; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 3.77; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 61.32; (8)ACD/KOC (pH 7.4): 1.77; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 40.86 Å²; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 50.61 cm³; (15)Molar Volume: 154.7 cm³; (16)Polarizability: 20.06×10^-24cm³; (17)Surface Tension: 50.3 dyne/cm; (18)Density: 1.383 g/cm³; (19)Flash Point: 140 °C; (20)Enthalpy of Vaporization: 54.85 kJ/mol; (21)Boiling Point: 307.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000704 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-(2,6-dichloro-phenyl)-3-imino-propionitrile. This reaction will need reagent 2N HCl. The reaction time is 2 hour(s). The yield is about 81.7%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1c(Cl)cccc1Cl)CC#N
(2)InChI: InChI=1/C9H5Cl2NO/c10-6-2-1-3-7(11)9(6)8(13)4-5-12/h1-3H,4H2
(3)InChIKey: KCHWJFVEFMTLFE-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H5Cl2NO/c10-6-2-1-3-7(11)9(6)8(13)4-5-12/h1-3H,4H2
(5)Std. InChIKey: KCHWJFVEFMTLFE-UHFFFAOYSA-N

Product Name

3-(2,6-dichlorophenyl)-3-oxopropiononitrile

Benzenepropanenitrile,2,6-dichloro-b-oxo- Specification

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