Name: 2-FLUORO-5-(TRIFLUOROMETHYL)ANISOLE
SKU: 261951-78-4

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Basic Information

Molecular Structure:
CAS No.:	261951-78-4
Name:	2-FLUORO-5-(TRIFLUOROMETHYL)ANISOLE
Article Data:	2

Formula:	C₈H₆F₄O
Molecular Weight:	194.129
Synonyms:	4-Fluoro-3-methoxybenzotrifluoride;
EINECS:	-0
Density:	1.284 g/cm³
Boiling Point:	164.8 °C at 760 mmHg
Flash Point:	52.2 °C
Solubility:	Not miscible in water.
Hazard Symbols:	R10:Flammable.; R36/38:Irritating to eyes and skin.;
Risk Codes:	10
Safety:	16
PSA:	9.23000
LogP:	2.85310

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Specification

This chemical is called Benzene, 1-fluoro-2-methoxy-4-(trifluoromethyl)-, and its systematic name is 1-fluoro-2-methoxy-4-(trifluoromethyl)benzene. With the molecular formula of C₈H₆F₄O, its molecular weight is 194.13. The CAS registry number of this chemical is 261951-78-4.

Other characteristics of the Benzene, 1-fluoro-2-methoxy-4-(trifluoromethyl)- can be summarised as followings: (1)ACD/LogP: 3.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.31; (4)ACD/LogD (pH 7.4): 3.31; (5)ACD/BCF (pH 5.5): 193.06; (6)ACD/BCF (pH 7.4): 193.06; (7)ACD/KOC (pH 5.5): 1505.57; (8)ACD/KOC (pH 7.4): 1505.57; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.415; (14)Molar Refractivity: 37.9 cm³; (15)Molar Volume: 151.1 cm³; (16)Polarizability: 15.02×10^-24cm³; (17)Surface Tension: 22.2 dyne/cm; (18)Density: 1.284 g/cm³; (19)Flash Point: 52.2 °C; (20)Enthalpy of Vaporization: 38.48 kJ/mol; (21)Boiling Point: 164.8 °C at 760 mmHg; (22)Vapour Pressure: 2.54 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Fc1ccc(cc1OC)C(F)(F)F
2.InChI: InChI=1/C8H6F4O/c1-13-7-4-5(8(10,11)12)2-3-6(7)9/h2-4H,1H3
3.InChIKey: AXEAQZIYCQTHQV-UHFFFAOYAK