Name: 2-FLUORO-3-(TRIFLUOROMETHYL)PHENOL
SKU: 207291-85-8

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Basic Information

Molecular Structure:
CAS No.:	207291-85-8
Name:	2-FLUORO-3-(TRIFLUOROMETHYL)PHENOL
Article Data:	1

Formula:	C₇H₄F₄O
Molecular Weight:	180.102
Synonyms:	2-Fluoro-3-(trifluoromethyl)phenol;2-Fluoro-3-hydroxybenzotrifluoride;
Density:	1.434 g/cm³
Boiling Point:	176.7 °C at 760 mmHg
Flash Point:	60.7 °C
Hazard Symbols:	Xn,T
Risk Codes:	20/21/22-36/37/38
Safety:	26-36
PSA:	20.23000
LogP:	2.55010

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Specification

The Phenol,2-fluoro-3-(trifluoromethyl)-, with the CAS registry number 207291-85-8, is also known as 2-Fluoro-3-hydroxybenzotrifluoride. This chemical's molecular formula is C₇H₄F₄O and molecular weight is 180.1. What's more, its systematic name is 2-Fluoro-3-(trifluoromethyl)phenol and it belongs to the product categories of Phenol &Thiophenol &Mercaptan; Organic Building Blocks; Oxygen Compounds; Phenols. The product is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxidizers, heat and flame.

Physical properties of Phenol,2-fluoro-3-(trifluoromethyl)- are: (1)ACD/LogP: 3.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.2; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 158.54; (6)ACD/BCF (pH 7.4): 106.61; (7)ACD/KOC (pH 5.5): 1305.27; (8)ACD/KOC (pH 7.4): 877.74; (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: 60.7 °C; (20)Enthalpy of Vaporization: 43 kJ/mol; (21)Boiling Point: 176.7 °C at 760 mmHg; (22)Vapour Pressure: 0.8 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed and 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)Canonical SMILES: C1=CC(=C(C(=C1)O)F)C(F)(F)F
(2)InChI: InChI=1S/C7H4F4O/c8-6-4(7(9,10)11)2-1-3-5(6)12/h1-3,12H
(3)InChIKey: DOICLFHNNMXINV-UHFFFAOYSA-N