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222026-50-8

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Basic Information
CAS No.: 222026-50-8
Name: 5-BROMO-4-CHLORO-4,5,5-TRIFLUOROPENTAN-1-OL
Molecular Structure:
Molecular Structure of 222026-50-8 (5-BROMO-4-CHLORO-4,5,5-TRIFLUOROPENTAN-1-OL)
Formula: C5H7BrClF3O
Molecular Weight: 255.46
Synonyms: 5-Bromo-4-chloro-4,5,5-trifluoro-1-pentanol;Bromochlorotrifluoropentanol;
Density: 1.707 g/cm3
Boiling Point: 173.7 °C at 760 mmHg
Flash Point: 58.8 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 20.23000
LogP: 2.65120
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Specification

The 1-Pentanol,5-bromo-4-chloro-4,5,5-trifluoro-, with the CAS registry number 222026-50-8, is also known as Bromochlorotrifluoropentanol. This chemical's molecular formula is C5H7BrClF3O and molecular weight is 255.46. What's more, its systematic name is 5-Bromo-4-chloro-4,5,5-trifluoropentan-1-ol.

Physical properties of 1-Pentanol,5-bromo-4-chloro-4,5,5-trifluoro- are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.54; (6)ACD/BCF (pH 7.4): 18.54; (7)ACD/KOC (pH 5.5): 281.37; (8)ACD/KOC (pH 7.4): 281.37; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.444; (14)Molar Refractivity: 39.75 cm3; (15)Molar Volume: 149.5 cm3; (16)Polarizability: 15.75×10-24 cm3; (17)Surface Tension: 32.4 dyne/cm; (18)Density: 1.707 g/cm3; (19)Flash Point: 58.8 °C; (20)Enthalpy of Vaporization: 47.74 kJ/mol; (21)Boiling Point: 173.7 °C at 760 mmHg; (22)Vapour Pressure: 0.391 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)Canonical SMILES: C(CC(C(F)(F)Br)(F)Cl)CO
(2)InChI: InChI=1S/C5H7BrClF3O/c6-5(9,10)4(7,8)2-1-3-11/h11H,1-3H2
(3)InChIKey: YTPPNYJNPZSDFJ-UHFFFAOYSA-N