CAS No.116640-12-1,2,3-DIFLUORO-4-(TRIFLUOROMETHYL)PHENOL 98 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	116640-12-1
Name:	2,3-DIFLUORO-4-(TRIFLUOROMETHYL)PHENOL 98

Formula:	C₇H₃F₅O
Molecular Weight:	198.09
Synonyms:	2,3-Difluoro-4-(trifluoromethyl)phenol;
Density:	1.526 g/cm³
Boiling Point:	182 °C at 760 mmHg
Flash Point:	63.9 °C
Hazard Symbols:	T
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	20.23000
LogP:	2.68920

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Specification

The Phenol,2,3-difluoro-4-(trifluoromethyl)- has the CAS registry number 116640-12-1. This chemical's molecular formula is C₇H₃F₅O and molecular weight is 198.09. What's more, its systematic name is 2,3-Difluoro-4-(trifluoromethyl)phenol and it belongs to the product category of Phenol &Thiophenol &Mercaptan.

Physical properties of Phenol,2,3-difluoro-4-(trifluoromethyl)- are: (1)ACD/LogP: 3.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.21; (4)ACD/LogD (pH 7.4): 2.17; (5)ACD/BCF (pH 5.5): 157.67; (6)ACD/BCF (pH 7.4): 14.25; (7)ACD/KOC (pH 5.5): 1252.11; (8)ACD/KOC (pH 7.4): 113.13; (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: 1.423; (14)Molar Refractivity: 33.1 cm³; (15)Molar Volume: 129.7 cm³; (16)Polarizability: 13.12×10^-24cm³; (17)Surface Tension: 26.2 dyne/cm; (18)Density: 1.526 g/cm³; (19)Flash Point: 63.9 °C; (20)Enthalpy of Vaporization: 43.54 kJ/mol; (21)Boiling Point: 182 °C at 760 mmHg; (22)Vapour Pressure: 0.608 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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(ccc(O)c1F)C(F)(F)F
(2)InChI: InChI=1/C7H3F5O/c8-5-3(7(10,11)12)1-2-4(13)6(5)9/h1-2,13H
(3)InChIKey: WWJVQVQWMHTPNE-UHFFFAOYSA-N