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71274-84-5

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Basic Information
CAS No.: 71274-84-5
Name: 4-TRIFLUOROMETHOXY-BIPHENYL
Article Data: 2
Molecular Structure:
Molecular Structure of 71274-84-5 (4-TRIFLUOROMETHOXY-BIPHENYL)
Formula: C13H9F3O
Molecular Weight: 238.209
Synonyms: 4-(Trifluoromethoxy)biphenyl;4-Trifluoromethoxy-1,1'-biphenyl;4-(trifluoromethoxy)biphenyl;1,1'-Biphenyl, 4-(trifluoromethoxy)-;Biphenyl-4-yl trifluoromethyl ether;
Density: 1.22 g/cm3
Melting Point: 56-58 °C
Boiling Point: 264.8 °C at 760 mmHg
Flash Point: 121.2 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 9.23000
LogP: 4.25220
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Specification

The 1,1'-Biphenyl,4-(trifluoromethoxy)-, with the CAS registry number 71274-84-5, has the systematic name of 4-(trifluoromethoxy)biphenyl. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C13H9F3O.

The characteristics of 1,1'-Biphenyl,4-(trifluoromethoxy)- are as followings: (1)ACD/LogP: 4.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.83; (4)ACD/LogD (pH 7.4): 4.83; (5)ACD/BCF (pH 5.5): 2742.09; (6)ACD/BCF (pH 7.4): 2742.09; (7)ACD/KOC (pH 5.5): 10059.44; (8)ACD/KOC (pH 7.4): 10059.44; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 57.98 cm3; (15)Molar Volume: 195.1 cm3; (16)Polarizability: 22.98×10-24cm3; (17)Surface Tension: 31.1 dyne/cm; (18)Density: 1.22 g/cm3; (19)Flash Point: 121.2 °C; (20)Enthalpy of Vaporization: 48.24 kJ/mol; (21)Boiling Point: 264.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0156 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(F)Oc1ccc(cc1)c2ccccc2
(2)InChI: InChI=1/C13H9F3O/c14-13(15,16)17-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
(3)InChIKey: BANUTYPBALYVJT-UHFFFAOYAK