4-Bromo-2,5-difluorophenol supplier

Name
4-BROMO-2,5-DIFLUOROPHENOL
EINECS
CAS No. 486424-36-6
Article Data5
CAS DataBase
Density 1.858 g/cm³
Solubility Soluble in water (slightly).
Melting Point 51-53 °C
Formula C₆H₃BrF₂O
Boiling Point 210.2 °C at 760 mmHg
Molecular Weight 208.99
Flash Point 81 °C
Transport Information
Appearance white crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 1-Hydroxy-4-bromo-2,5-difluorobenzene;4-Bromo-2,5-difluorophenol;
PSA 20.23000
LogP 2.43290

4-Bromo-2,5-difluorophenol Specification

The systematic name of 4-Bromo-2,5-difluorophenol is 4-bromo-2,5-difluorophenol. With the CAS registry number 486424-36-6, it is also named as Phenol,4-bromo-2,5-difluoro-. Its category is Aromatic Phenols. The product is white crystalline powder, which should be stored in a sealed, cool, dry place. In addition, its molecular formula is C₆H₃BrF₂O and molecular weight is 209.00.

The other characteristics of 4-Bromo-2,5-difluorophenol can be summarized as: (1)ACD/LogP: 3.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.13; (4)ACD/LogD (pH 7.4): 2.7; (5)ACD/BCF (pH 5.5): 139.41; (6)ACD/BCF (pH 7.4): 51.91; (7)ACD/KOC (pH 5.5): 1185.23; (8)ACD/KOC (pH 7.4): 441.3; (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: 1.549; (14)Molar Refractivity: 35.81 cm³; (15)Molar Volume: 112.4 cm³; (16)Polarizability: 14.19×10^-24cm³; (17)Surface Tension: 42.4 dyne/cm; (18)Density: 1.858 g/cm³; (19)Flash Point: 81 °C; (20)Melting Point: 51-53 °C; (21)Enthalpy of Vaporization: 46.47 kJ/mol; (22)Boiling Point: 210.2 °C at 760 mmHg; (23)Vapour Pressure: 0.134 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Fc1cc(O)c(F)cc1Br
(2)InChI: InChI=1/C6H3BrF2O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
(3)InChIKey: BYZMZJIWCQTYSR-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C6H3BrF2O/c7-3-1-5(9)6(10)2-4(3)8/h1-2,10H
(5)Std. InChIKey: BYZMZJIWCQTYSR-UHFFFAOYSA-N

Product Name

4-BROMO-2,5-DIFLUOROPHENOL

4-Bromo-2,5-difluorophenol Specification

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