Benzene,1-methyl-3-(trifluoromethoxy)- supplier

Name
3-TRIFLUOROMETHOXYTOLUENE
EINECS
CAS No. 705-44-2
Article Data7
CAS DataBase
Density 1.205g/cm³
Solubility
Melting Point
Formula C₈H₇F₃O
Boiling Point 136.4 °C at 760 mmHg
Molecular Weight 176.138
Flash Point 42.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Anisole, a,a,a-trifluoro-m-methyl- (8CI);3-Methylphenyl trifluoromethyl ether;m-(Trifluoromethoxy)toluene;m-Tolyl trifluoromethyl ether;
PSA 9.23000
LogP 2.89360

Benzene,1-methyl-3-(trifluoromethoxy)- Specification

The Benzene,1-methyl-3-(trifluoromethoxy)-, with CAS registry number 705-44-2, has the systematic name of 1-methyl-3-(trifluoromethoxy)benzene. Besides this, it is also called 3-Methylphenyl trifluoromethyl ether. And the chemical formula of this chemical is C₈H₇F₃O.

Physical properties of Benzene,1-methyl-3-(trifluoromethoxy)-: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.63; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 337.38; (6)ACD/BCF (pH 7.4): 337.38; (7)ACD/KOC (pH 5.5): 2245.07; (8)ACD/KOC (pH 7.4): 2245.07; (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: 1.436; (14)Molar Refractivity: 38.21 cm³; (15)Molar Volume: 146.1 cm³; (16)Polarizability: 15.14×10^-24cm³; (17)Surface Tension: 24.5 dyne/cm; (18)Density: 1.205 g/cm³; (19)Flash Point: 42.1 °C; (20)Enthalpy of Vaporization: 35.83 kJ/mol; (21)Boiling Point: 136.4 °C at 760 mmHg; (22)Vapour Pressure: 9.15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)Oc1cc(ccc1)C
(2)InChI: InChI=1/C8H7F3O/c1-6-3-2-4-7(5-6)12-8(9,10)11/h2-5H,1H3
(3)InChIKey: WRNXOOXIPSTAGJ-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C8H7F3O/c1-6-3-2-4-7(5-6)12-8(9,10)11/h2-5H,1H3
(5)Std. InChIKey: WRNXOOXIPSTAGJ-UHFFFAOYSA-N

Product Name

3-TRIFLUOROMETHOXYTOLUENE

Benzene,1-methyl-3-(trifluoromethoxy)- Specification

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