CAS No.41429-16-7,4-(DIFLUOROMETHOXY)PHENYLACETONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	41429-16-7
Name:	4-(DIFLUOROMETHOXY)PHENYLACETONITRILE

Formula:	C₉H₇F₂NO
Molecular Weight:	183.04957
Synonyms:	[4-(Difluoromethoxy)phenyl]acetonitrile;
Density:	1.213 g/cm³
Boiling Point:	262.4 °C at 760 mmHg
Flash Point:	112.5 °C
Hazard Symbols:	T
PSA:	33.02000
LogP:	2.35408

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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