CAS No.77227-78-2,2-FLUORO-4-(TRIFLUOROMETHYL)PHENOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	77227-78-2
Name:	2-FLUORO-4-(TRIFLUOROMETHYL)PHENOL
Article Data:	2

Formula:	C₇H₄F₄O
Molecular Weight:	180.102
Synonyms:	2-Fluoro-4-(trifluoromethyl)phenol;3-Fluoro-4-hydroxybenzotrifluoride;
Density:	1.434 g/cm³
Boiling Point:	164.7 °C at 760 mmHg
Flash Point:	53.4 °C
Risk Codes:	36/37/38
Safety:	26-36
PSA:	20.23000
LogP:	2.55010

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Specification

The Phenol,2-fluoro-4-(trifluoromethyl)-, with the CAS registry number 77227-78-2, is also known as 3-Fluoro-4-hydroxybenzotrifluoride. This chemical's molecular formula is C₇H₄F₄O and molecular weight is 180.1. What's more, its systematic name is 2-Fluoro-4-(trifluoromethyl)phenol.

Physical properties of Phenol,2-fluoro-4-(trifluoromethyl)- are: (1)ACD/LogP: 2.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.54; (5)ACD/BCF (pH 5.5): 91.53; (6)ACD/BCF (pH 7.4): 41.54; (7)ACD/KOC (pH 5.5): 878.6; (8)ACD/KOC (pH 7.4): 398.74; (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: 53.4 °C; (20)Enthalpy of Vaporization: 41.77 kJ/mol; (21)Boiling Point: 164.7 °C at 760 mmHg; (22)Vapour Pressure: 1.48 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(ccc1O)C(F)(F)F
(2)InChI: InChI=1/C7H4F4O/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3,12H
(3)InChIKey: WEUIJSDNBZVSNY-UHFFFAOYSA-N