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3-Chloro-2-fluorophenylacetonitrile

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Name

3-Chloro-2-fluorophenylacetonitrile

EINECS N/A
CAS No. 261762-98-5 Density 1.286 g/cm3
PSA 23.79000 LogP 2.54518
Solubility N/A Melting Point N/A
Formula C8H5ClFN Boiling Point 256.6 °C at 760 mmHg
Molecular Weight 169.586 Flash Point 109 °C
Transport Information N/A Appearance N/A
Safety 26-37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 261762-98-5 (3-Chloro-2-fluorophenylacetonitrile) Hazard Symbols ToxicT
Synonyms

(3-Chloro-2-fluorophenyl)acetonitrile;

Article Data 4

3-Chloro-2-fluorophenylacetonitrile Specification

The 3-Chloro-2-fluorophenylacetonitrile, with the CAS registry number 261762-98-5, is also known as 3-Chloro-2-fluorophenylacetonitrile. This chemical's molecular formula is C8H5ClFN and molecular weight is 169.58. What's more, its IUPAC name is 2-(3-Chloro-2-fluorophenyl)acetonitrile and its systematic name is (3-Chloro-2-fluorophenyl)acetonitrile.

Physical properties about Benzeneacetonitrile,3-chloro-2-fluoro are: (1)ACD/LogP: 2.21; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.21; (4)ACD/LogD (pH 7.4): 2.21; (5)ACD/BCF (pH 5.5): 27.92; (6)ACD/BCF (pH 7.4): 27.92; (7)ACD/KOC (pH 5.5): 377.2; (8)ACD/KOC (pH 7.4): 377.2; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 23.79 Å2; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 40.6 cm3; (15)Molar Volume: 131.7 cm3; (16)Polarizability: 16.09×10-24 cm3; (17)Surface Tension: 41.8 dyne/cm; (18)Density: 1.286 g/cm3; (19)Flash Point: 109 °C; (20)Enthalpy of Vaporization: 49.42 kJ/mol; (21)Boiling Point: 256.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0152 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. It is harmful by inhalation, in contact with skin and it is harmful if it is swallowed. Therefore, you should wear suitable protective gloves and eye/face protection. And in case of contacting 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(cccc1Cl)CC#N
(2) InChI: InChI=1/C8H5ClFN/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3H,4H2
(3) InChIKey: LJHVKGPLTKDUFW-UHFFFAOYAM

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