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444341-80-4

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Basic Information
CAS No.: 444341-80-4
Name: 2-CHLORO-4-(2,2,2-TRIFLUOROETHOXY)PHENOL
Article Data: 3
Molecular Structure:
Molecular Structure of 444341-80-4 (2-CHLORO-4-(2,2,2-TRIFLUOROETHOXY)PHENOL)
Formula: C8H6ClF3O2
Molecular Weight: 226.583
Synonyms: 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol;2-Chloro-4-(trifluoroethoxy)-phenol;
Density: 1.446 g/cm3
Boiling Point: 243.382 °C at 760 mmHg
Flash Point: 100.994 °C
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 29.46000
LogP: 2.98670
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Specification

The Phenol,2-chloro-4-(2,2,2-trifluoroethoxy)-, with the CAS registry number 444341-80-4, is also known as 2-Chloro-4-(trifluoroethoxy)-phenol. This chemical's molecular formula is C8H6ClF3O2 and molecular weight is 226.58. What's more, its systematic name is 2-Chloro-4-(2,2,2-trifluoroethoxy)phenol and it belongs to the product category of Phenol &Thiophenol & Mercaptan.

Physical properties of Phenol,2-chloro-4-(2,2,2-trifluoroethoxy)- are: (1)ACD/LogP: 2.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 125; (6)ACD/BCF (pH 7.4): 116; (7)ACD/KOC (pH 5.5): 1101; (8)ACD/KOC (pH 7.4): 1027; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.46 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 44.798 cm3; (15)Molar Volume: 156.714 cm3; (16)Polarizability: 17.759×10-24 cm3; (17)Surface Tension: 33.929 dyne/cm; (18)Density: 1.446 g/cm3; (19)Flash Point: 100.994 °C; (20)Enthalpy of Vaporization: 49.986 kJ/mol; (21)Boiling Point: 243.382 °C at 760 mmHg; (22)Vapour Pressure: 0.021 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, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Oc1ccc(OCC(F)(F)F)cc1Cl
(2)InChI: InChI=1/C8H6ClF3O2/c9-6-3-5(1-2-7(6)13)14-4-8(10,11)12/h1-3,13H,4H2
(3)InChIKey: OFBKLMDDKYZENG-UHFFFAOYSA-N