1,2-Benzenedicarbonitrile, 4,5-diethoxy-3-fluoro- supplier

Name
1,2-Benzenedicarbonitrile, 4,5-diethoxy-3-fluoro-
EINECS
CAS No. 474554-45-5
Article Data2
CAS DataBase
Density 1.21 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₁FN₂O₂
Boiling Point 377.4 °C at 760 mmHg
Molecular Weight 234.23
Flash Point 182.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms LogP
PSA 66.04000
LogP 2.36646

1,2-Benzenedicarbonitrile, 4,5-diethoxy-3-fluoro- Specification

This chemical is called 1,2-Benzenedicarbonitrile, 4,5-diethoxy-3-fluoro-, and its systematic name is 4,5-Diethoxy-3-fluorobenzene-1,2-dicarbonitrile. With the molecular formula of C₁₂H₁₁FN₂O₂, its molecular weight is 234.23. The CAS registry number of this chemical is 474554-45-5.

Other characteristics of the 1,2-Benzenedicarbonitrile, 4,5-diethoxy-3-fluoro- can be summarised as followings: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.84; (4)ACD/LogD (pH 7.4): 1.84; (5)ACD/BCF (pH 5.5): 14.75; (6)ACD/BCF (pH 7.4): 14.75; (7)ACD/KOC (pH 5.5): 238.95; (8)ACD/KOC (pH 7.4): 238.95; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 66.04 Å²; (13)Index of Refraction: 1.515; (14)Molar Refractivity: 57.99 cm³; (15)Molar Volume: 192.1 cm³; (16)Polarizability: 22.98×10^-24cm³; (17)Surface Tension: 47.8 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 182.1 °C; (20)Enthalpy of Vaporization: 62.52 kJ/mol; (21)Boiling Point: 377.4 °C at 760 mmHg; (22)Vapour Pressure: 6.75E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: CCOc1c(F)c(C#N)c(cc1OCC)C#N
2.InChI: InChI=1/C12H11FN2O2/c1-3-16-10-5-8(6-14)9(7-15)11(13)12(10)17-4-2/h5H,3-4H2,1-2H3
3.InChIKey: QUKCZYZZKGEXNQ-UHFFFAOYAS

Product Name

1,2-Benzenedicarbonitrile, 4,5-diethoxy-3-fluoro-

1,2-Benzenedicarbonitrile, 4,5-diethoxy-3-fluoro- Specification

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