4-Ethoxy-2,3-difluorobenzonitrile supplier

Name
2,3-Difluoro-4-Cyanophenetole
EINECS
CAS No. 126162-96-7
Article Data2
CAS DataBase
Density 1.23 g/cm³
Solubility
Melting Point 45℃
Formula C₉H₇F₂NO
Boiling Point 256.2 °C at 760 mmHg
Molecular Weight 183.1547864
Flash Point 108.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-ethoxy-2,3-difluorobenzonitrile;benzonitrile, 4-ethoxy-2,3-difluoro-;NCR BF CF DO2;
PSA 33.02000
LogP 2.23518

4-Ethoxy-2,3-difluorobenzonitrile 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

Product Name

2,3-Difluoro-4-Cyanophenetole

4-Ethoxy-2,3-difluorobenzonitrile Specification

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