CAS No.126162-96-7,2,3-Difluoro-4-Cyanophenetole Suppliers

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Basic Information

Molecular Structure:
CAS No.:	126162-96-7
Name:	2,3-Difluoro-4-Cyanophenetole
Article Data:	2

Formula:	C₉H₇F₂NO
Molecular Weight:	183.1547864
Synonyms:	4-ethoxy-2,3-difluorobenzonitrile;benzonitrile, 4-ethoxy-2,3-difluoro-;NCR BF CF DO2;
Density:	1.23 g/cm³
Melting Point:	45℃
Boiling Point:	256.2 °C at 760 mmHg
Flash Point:	108.7 °C
PSA:	33.02000
LogP:	2.23518

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Specification

The 2,3-Difluoro-4-Cyanophenetole, with the CAS registry number 126162-96-7, has the systematic name of 4-ethoxy-2,3-difluorobenzonitrile. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₉H₇F₂NO.

The characteristics of 2,3-Difluoro-4-Cyanophenetole are as followings: (1)ACD/LogP: 1.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.98; (4)ACD/LogD (pH 7.4): 1.98; (5)ACD/BCF (pH 5.5): 18.67; (6)ACD/BCF (pH 7.4): 18.67; (7)ACD/KOC (pH 5.5): 282.79; (8)ACD/KOC (pH 7.4): 282.79; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 42.54 cm³; (15)Molar Volume: 148.6 cm³; (16)Polarizability: 16.86×10^-24cm³; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 1.23 g/cm³; (19)Flash Point: 108.7 °C; (20)Enthalpy of Vaporization: 49.37 kJ/mol; (21)Boiling Point: 256.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0156 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CCOc1ccc(C#N)c(F)c1F
(2)InChI: InChI=1/C9H7F2NO/c1-2-13-7-4-3-6(5-12)8(10)9(7)11/h3-4H,2H2,1H3
(3)InChIKey: NVCHMZSUFSRXTF-UHFFFAOYAQ