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| CAS No.: | 144292-32-0 |
|---|---|
| Name: | 4-Bromo-2,3-difluorophenol |
| Article Data: | 4 |
| Molecular Structure: | |
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|
|
| Formula: | C6H3BrF2O |
| Molecular Weight: | 208.99 |
| Synonyms: | 2,3-Difluoro-4-bromophenol; |
| Density: | 1.858 g/cm3 |
| Melting Point: | 49-52°C |
| Boiling Point: | 213.308 °C at 760 mmHg |
| Flash Point: | 82.806 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| Safety: | 45 |
| PSA: | 20.23000 |
| LogP: | 2.43290 |
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Specification
The Phenol,4-bromo-2,3-difluoro- is an organic compound with the formula C6H3BrF2O. The systematic name of this chemical is 4-bromo-2,3-difluorophenol. With the CAS registry number 144292-32-0, it is also named as 2,3-Difluoro-4-bromophenol. The product's categories are Aromatic Phenols; Phenol & Thiophenol & Mercaptan. Besides, it should be stored in a closed cool and dry place.
Physical properties about Phenol,4-bromo-2,3-difluoro- are: (1)ACD/LogP: 2.70; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 106; (5)ACD/BCF (pH 7.4): 39; (6)ACD/KOC (pH 5.5): 973; (7)ACD/KOC (pH 7.4): 362; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.23 Å2; (12)Index of Refraction: 1.55; (13)Molar Refractivity: 35.812 cm3; (14)Molar Volume: 112.467 cm3; (15)Polarizability: 14.197×10-24cm3; (16)Surface Tension: 42.424 dyne/cm; (17)Density: 1.858 g/cm3; (18)Flash Point: 82.806 °C; (19)Enthalpy of Vaporization: 46.795 kJ/mol; (20)Boiling Point: 213.308 °C at 760 mmHg; (21)Vapour Pressure: 0.113 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(O)ccc(Br)c1F
(2)InChI: InChI=1/C6H3BrF2O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
(3)InChIKey: JZAVCMMYGSROJP-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C6H3BrF2O/c7-3-1-2-4(10)6(9)5(3)8/h1-2,10H
(5)Std. InChIKey: JZAVCMMYGSROJP-UHFFFAOYSA-N