Name: 4,5-DIFLUORO-2-METHOXYBENZONITRILE
SKU: 425702-28-9

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Basic Information

Molecular Structure:
CAS No.:	425702-28-9
Name:	4,5-DIFLUORO-2-METHOXYBENZONITRILE
Article Data:	1

Formula:	C₈H₅F₂NO
Molecular Weight:	169.131
Synonyms:	ZINC12359159;
Density:	1.279 g/cm³
Melting Point:	89-90 °C
Boiling Point:	251.09 °C at 760 mmHg
Flash Point:	105.656 °C
Hazard Symbols:	Xi
PSA:	33.02000
LogP:	1.84508

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Specification

The Benzonitrile, 4,5-difluoro-2-methoxy-, with the CAS registry number 425702-28-9, is also known as ZINC12359159. It belongs to the product category of Aromatic Nitriles. This chemical's molecular formula is C₈H₅F₂NO and molecular weight is 169.03392. Its IUPAC name is called 4,5-difluoro-2-methoxybenzonitrile. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of Benzonitrile, 4,5-difluoro-2-methoxy-: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 13; (5)ACD/BCF (pH 7.4): 13; (6)ACD/KOC (pH 5.5): 215; (7)ACD/KOC (pH 7.4): 215; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.485; (11)Molar Refractivity: 37.91 cm³; (12)Molar Volume: 132.197 cm³; (13)Surface Tension: 37.135 dyne/cm; (14)Density: 1.279 g/cm³; (15)Flash Point: 105.656 °C; (16)Enthalpy of Vaporization: 48.839 kJ/mol; (17)Boiling Point: 251.09 °C at 760 mmHg; (18)Vapour Pressure: 0.021 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=CC(=C(C=C1C#N)F)F
(2)InChI: InChI=1S/C8H5F2NO/c1-12-8-3-7(10)6(9)2-5(8)4-11/h2-3H,1H3
(3)InChIKey: HACKETIBYOIPCJ-UHFFFAOYSA-N