Benzonitrile,4-methoxy-2-(trifluoromethyl)- supplier

Name
4-METHOXY-2-(TRIFLUOROMETHYL)BENZONITRILE
EINECS 604-604-1
CAS No. 875664-48-5
Density 1.3g/cm³
Solubility
Melting Point
Formula C₉H₆F₃NO
Boiling Point 267.8 °C at 760 mmHg
Molecular Weight 201.15
Flash Point 115.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4-METHOXY-2-(TRIFLUOROMETHYL)BENZONITRILE
PSA 33.02000
LogP 2.58568

Benzonitrile,4-methoxy-2-(trifluoromethyl)- Specification

The Benzonitrile,4-methoxy-2-(trifluoromethyl)-, with CAS registry number 875664-48-5, belongs to the following product category: Aromatic Nitriles. It has the systematic name of 4-methoxy-2-(trifluoromethyl)benzonitrile. And the chemical formula of this chemical is C₉H₆F₃NO.

Physical properties of Benzonitrile,4-methoxy-2-(trifluoromethyl)-: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.33; (4)ACD/LogD (pH 7.4): 3.33; (5)ACD/BCF (pH 5.5): 200.5; (6)ACD/BCF (pH 7.4): 200.5; (7)ACD/KOC (pH 5.5): 1546.87; (8)ACD/KOC (pH 7.4): 1546.87; (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: 1.463; (14)Molar Refractivity: 42.67 cm³; (15)Molar Volume: 154.6 cm³; (16)Polarizability: 16.91×10^-24cm³; (17)Surface Tension: 34 dyne/cm; (18)Density: 1.3 g/cm³; (19)Flash Point: 115.8 °C; (20)Enthalpy of Vaporization: 50.59 kJ/mol; (21)Boiling Point: 267.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00797 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(OC)ccc1C#N
(2)InChI: InChI=1/C9H6F3NO/c1-14-7-3-2-6(5-13)8(4-7)9(10,11)12/h2-4H,1H3
(3)InChIKey: FNPSTMJRNVUTJV-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H6F3NO/c1-14-7-3-2-6(5-13)8(4-7)9(10,11)12/h2-4H,1H3
(5)Std. InChIKey: FNPSTMJRNVUTJV-UHFFFAOYSA-N

Product Name

4-METHOXY-2-(TRIFLUOROMETHYL)BENZONITRILE

Benzonitrile,4-methoxy-2-(trifluoromethyl)- Specification

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