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4-Bromo-2,6-difluorobenzonitrile

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Name

4-Bromo-2,6-difluorobenzonitrile

EINECS N/A
CAS No. 123843-67-4 Density 1.77 g/cm3
PSA 23.79000 LogP 2.59898
Solubility N/A Melting Point 78 °C
Formula C7H2BrF2N Boiling Point 219.7 °C at 760 mmHg
Molecular Weight 218 Flash Point 86.7 °C
Transport Information N/A Appearance Off-white cryst
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 123843-67-4 (4-Bromo-2,6-difluorobenzonitrile) Hazard Symbols N/A
Synonyms

2,6-Difluoro-4-bromobenzonitrile;

Article Data 3

4-Bromo-2,6-difluorobenzonitrile Specification

The Benzonitrile,4-bromo-2,6-difluoro- with the CAS number 123843-67-4 is also called 2,6-Difluoro-4-bromobenzonitrile. The systematic name is 4-bromo-2,6-difluorobenzonitrile. Its molecular formula is C7H2BrF2N. This chemical belongs to the following product categories: (1)Aromatic Nitriles; (2)Nitrile. It is off-white cryst.

The properties of the Benzonitrile,4-bromo-2,6-difluoro- 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)ACD/BCF (pH 5.5): 24.82; (6)ACD/BCF (pH 7.4): 24.82; (7)ACD/KOC (pH 5.5): 346.76; (8)ACD/KOC (pH 7.4): 346.76; (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: 1.552; (14)Molar Refractivity: 39.26 cm3; (15)Molar Volume: 122.8 cm3; (16)Polarizability: 15.56×10-24cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Enthalpy of Vaporization: 45.62 kJ/mol; (19)Vapour Pressure: 0.117 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is harmful by inhalation, in contact with skin and if swallowed. It is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(C#N)c(F)cc(Br)c1
(2)InChI: InChI=1/C7H2BrF2N/c8-4-1-6(9)5(3-11)7(10)2-4/h1-2H
(3)InChIKey: TZHQWUAOIWRFSW-UHFFFAOYAU

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