Benzonitrile,2,4,5-trifluoro-3-methoxy- supplier

Name
3-METHOXY-2,4,5-TRIFLUOROBENZONITRILE
EINECS
CAS No. 112811-63-9
Article Data2
CAS DataBase
Density 1.36 g/cm³
Solubility
Melting Point
Formula C₈H₄F₃NO
Boiling Point 217.4 °C at 760mmHg
Molecular Weight 187.121
Flash Point 85.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2,4,5-Trifluoro-3-methoxybenzonitrile;3-Methoxy-2,4,5-trifluorobenzonitrile;
PSA 33.02000
LogP 1.98418

Benzonitrile,2,4,5-trifluoro-3-methoxy- Specification

The Benzonitrile,2,4,5-trifluoro-3-methoxy-, with the CAS registry number 112811-63-9, is also known as NCR BF DF EF CO1. This chemical's molecular formula is C₈H₄F₃NO and molecular weight is 187.1187. What's more, its systematic name is called 2,4,5-triFluoro-3-methoxybenzonitrile.

Physical properties about Benzonitrile,2,4,5-trifluoro-3-methoxy- are: (1)ACD/LogP: 1.12; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.12; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 4.18; (6)ACD/BCF (pH 7.4): 4.18; (7)ACD/KOC (pH 5.5): 96.84; (8)ACD/KOC (pH 7.4): 96.84; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.02 Å²; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 38.02 cm³; (15)Molar Volume: 136.9 cm³; (16)Polarizability: 15.07×10^-24 cm³; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.36 g/cm³; (19)Flash Point: 85.3 °C; (20)Enthalpy of Vaporization: 45.37 kJ/mol; (21)Boiling Point: 217.4 °C at 760 mmHg; (22)Vapour Pressure: 0.133 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1c(F)cc(C#N)c(F)c1OC
(2) InChI: InChI=1/C8H4F3NO/c1-13-8-6(10)4(3-12)2-5(9)7(8)11/h2H,1H3
(3) InChIKey: JFKKSZAQWUIHBF-UHFFFAOYAB

Product Name

3-METHOXY-2,4,5-TRIFLUOROBENZONITRILE

Benzonitrile,2,4,5-trifluoro-3-methoxy- Specification

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