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5-Chloro-2-fluorobenzonitirle

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Name

5-Chloro-2-fluorobenzonitirle

EINECS 260-710-3
CAS No. 57381-34-7 Density 1.33 g/cm3
PSA 23.79000 LogP 2.35078
Solubility N/A Melting Point 67-70°C
Formula C7H3ClFN Boiling Point 202.5 °C at 760 mmHg
Molecular Weight 155.559 Flash Point 76.3 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-36 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 57381-34-7 (5-Chloro-2-fluorobenzonitirle) Hazard Symbols IrritantXi,ToxicT,HarmfulXn
Synonyms

2-Fluoro-5-chlorobenzonitrile;

 

5-Chloro-2-fluorobenzonitirle Specification

The Benzonitrile,5-chloro-2-fluoro- with the CAS number 57381-34-7 is also called 2-Fluoro-5-chlorobenzonitrile. Both the systematic name and IUPAC name are 5-chloro-2-fluorobenzonitrile. Its molecular formula is C7H3ClFN. The EINECS registry number is 260-710-3. This chemical belongs to the following product categories: (1)Fluorobenzene; (2)Aromatic Nitriles; (3)Nitrile; (4)Miscellaneous; (5)C6 to C7; (6)Cyanides/Nitriles; (7)Nitrogen Compounds.

The properties of the Benzonitrile,5-chloro-2-fluoro- are: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.43; (6)ACD/BCF (pH 7.4): 25.43; (7)ACD/KOC (pH 5.5): 352.82; (8)ACD/KOC (pH 7.4): 352.82; (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: 1.536; (14)Molar Refractivity: 36.26 cm3; (15)Molar Volume: 116.1 cm3; (16)Polarizability: 14.37×10-24cm3; (17)Surface Tension: 43 dyne/cm; (18)Enthalpy of Vaporization: 43.88 kJ/mol; (19)Vapour Pressure: 0.291 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. 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)cc(Cl)cc1
(2)InChI: InChI=1/C7H3ClFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
(3)InChIKey: GJNJDELEHIGPKJ-UHFFFAOYAF

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