CAS No.130047-19-7,4-FLUORO-2-(TRIFLUOROMETHYL)PHENOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	130047-19-7
Name:	4-FLUORO-2-(TRIFLUOROMETHYL)PHENOL

Formula:	C₇H₄F₄O
Molecular Weight:	180.102
Synonyms:	2-(Trifluoromethyl)-4-fluorophenol;
Density:	1.434 g/cm³
Melting Point:	50-54℃
Boiling Point:	169.3 °C at 760 mmHg
Flash Point:	56.2 °C
Hazard Symbols:	T
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	20.23000
LogP:	2.55010

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Specification

The Phenol,4-fluoro-2-(trifluoromethyl)-, with CAS registry number 130047-19-7, belongs to the following product categories: (1)Aromatic Phenols; (2)Phenol & Thiophenol & Mercaptan. It has the systematic name of 4-fluoro-2-(trifluoromethyl)phenol. And the chemical formula of this chemical is C₇H₄F₄O.

Physical properties of Phenol,4-fluoro-2-(trifluoromethyl)-: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 78.65; (6)ACD/BCF (pH 7.4): 62.83; (7)ACD/KOC (pH 5.5): 790.96; (8)ACD/KOC (pH 7.4): 631.85; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å²; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 33.1 cm³; (15)Molar Volume: 125.5 cm³; (16)Polarizability: 13.12×10^-24cm³; (17)Surface Tension: 27.1 dyne/cm; (18)Density: 1.434 g/cm³; (19)Flash Point: 56.2 °C; (20)Enthalpy of Vaporization: 42.24 kJ/mol; (21)Boiling Point: 169.3 °C at 760 mmHg; (22)Vapour Pressure: 1.17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c1cc(F)ccc1O
(2)InChI: InChI=1/C7H4F4O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
(3)InChIKey: RNOVGJWJVRESAA-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C7H4F4O/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
(5)Std. InChIKey: RNOVGJWJVRESAA-UHFFFAOYSA-N