1,1'-Biphenyl,4-(trifluoromethoxy)- supplier

Name
4-TRIFLUOROMETHOXY-BIPHENYL
EINECS
CAS No. 71274-84-5
Article Data2
CAS DataBase
Density 1.22 g/cm³
Solubility
Melting Point 56-58 °C
Formula C₁₃H₉F₃O
Boiling Point 264.8 °C at 760 mmHg
Molecular Weight 238.209
Flash Point 121.2 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols
Synonyms 4-(Trifluoromethoxy)biphenyl;4-Trifluoromethoxy-1,1'-biphenyl;4-(trifluoromethoxy)biphenyl;1,1'-Biphenyl, 4-(trifluoromethoxy)-;Biphenyl-4-yl trifluoromethyl ether;
PSA 9.23000
LogP 4.25220

1,1'-Biphenyl,4-(trifluoromethoxy)- 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

Product Name

4-TRIFLUOROMETHOXY-BIPHENYL

1,1'-Biphenyl,4-(trifluoromethoxy)- Specification

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