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4-(Difluoromethoxy)phenylacetonitrile

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Name

4-(Difluoromethoxy)phenylacetonitrile

EINECS N/A
CAS No. 41429-16-7 Density 1.213 g/cm3
PSA 33.02000 LogP 2.35408
Solubility N/A Melting Point N/A
Formula C9H7F2NO Boiling Point 262.4 °C at 760 mmHg
Molecular Weight 183.04957 Flash Point 112.5 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 41429-16-7 (4-(DIFLUOROMETHOXY)PHENYLACETONITRILE) Hazard Symbols ToxicT
Synonyms

[4-(Difluoromethoxy)phenyl]acetonitrile;

 

4-(Difluoromethoxy)phenylacetonitrile Specification

The Benzeneacetonitrile,4-(difluoromethoxy)-, with the CAS registry number 41429-16-7, is also known as ZINC02560143. This chemical's molecular formula is C9H7F2NO and molecular weight is 183.04957. Its IUPAC name is called 2-[4-(difluoromethoxy)phenyl]acetonitrile. When you are using this chemical, please be cautious about it. This chemical that at low levels may cause damage to health.

Physical properties of Benzeneacetonitrile,4-(difluoromethoxy)-: (1)ACD/LogP: 1.54; (2)ACD/LogD (pH 5.5): 1.54; (3)ACD/LogD (pH 7.4): 1.54; (4)ACD/BCF (pH 5.5): 8.78; (5)ACD/BCF (pH 7.4): 8.78; (6)ACD/KOC (pH 5.5): 164.79; (7)ACD/KOC (pH 7.4): 164.79; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.477; (11)Molar Refractivity: 42.68 cm3; (12)Molar Volume: 150.9 cm3; (13)Surface Tension: 34.3 dyne/cm; (14)Density: 1.213 g/cm3; (15)Flash Point: 112.5 °C; (16)Enthalpy of Vaporization: 50.02 kJ/mol; (17)Boiling Point: 262.4 °C at 760 mmHg; (18)Vapour Pressure: 0.0109 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC=C1CC#N)OC(F)F
(2)InChI: InChI=1S/C9H7F2NO/c10-9(11)13-8-3-1-7(2-4-8)5-6-12/h1-4,9H,5H2
(3)InChIKey: LSFWUQCOTXRZHH-UHFFFAOYSA-N

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