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3-Fluoro-5-(trifluoromethyl)phenol

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Name

3-Fluoro-5-(trifluoromethyl)phenol

EINECS 245-820-1
CAS No. 172333-87-8 Density 1.434g/cm3
PSA 20.23000 LogP 2.55010
Solubility N/A Melting Point N/A
Formula C7H4F4O Boiling Point 183.3 °C at 760 mmHg
Molecular Weight 180.102 Flash Point 64.7 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 172333-87-8 (3-FLUORO-5-(TRIFLUOROMETHYL)PHENOL) Hazard Symbols ToxicT
Synonyms

3-Fluoro-5-(trifluoromethyl)phenol;5-Fluoro-3-(trifluoromethyl)phenol;

 

3-Fluoro-5-(trifluoromethyl)phenol Specification

The 3-Fluoro-5-(trifluoromethyl)phenol with the cas number 172333-87-8 is also called Phenol,3-fluoro-5-(trifluoromethyl)-. Its molecular formula is C7H4F4O. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the chemical are: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.13; (5)ACD/BCF (pH 5.5): 169.83; (6)ACD/BCF (pH 7.4): 134.02; (7)ACD/KOC (pH 5.5): 1372.24; (8)ACD/KOC (pH 7.4): 1082.87; (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)Enthalpy of Vaporization: 43.68 kJ/mol; (19)Vapour Pressure: 0.568 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable protective clothing, gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1cc(cc(O)c1)C(F)(F)F
(2)InChI: InChI=1/C7H4F4O/c8-5-1-4(7(9,10)11)2-6(12)3-5/h1-3,12H
(3)InChIKey: VNTKPYNBATZMSV-UHFFFAOYAW

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