4-BROMO-2,6-DIFLUOROPHENOL
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4-BROMO-2,6-DIFLUOROPHENOL
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CAS No:
104197-13-9
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Formula:
C6H3BrF2O
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Chemical Name:
4-BROMO-2,6-DIFLUOROPHENOL
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Synonyms:
4-BROMO-2,6-DIFLUOROPHENOL;2,6-Difluoro-4-Bromophenol 4-Bromo-2,6-Difluoro Phenol;2,6-Difluoro-4-bromophenol;4-Bromo-2,6-difluorophenol 98%;4-Bromo-2,6-difluorophenol98%
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CAS No:
4-BROMO-2,6-DIFLUOROPHENOL Basic Attributes
208.99
207.933533
8543473
1592732-453-0
DTXSID10371253
2908199090
Characteristics
20.2
2.5
1.858±0.06 g/cm3(Predicted)
50°C
180.2±35.0 °C(Predicted)
62.8±25.9 °C
1.550
Safety Information
IRRITANT
20/21/22-36/37/38
26-36/37/39
Xi
Harmful
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302 (14.29%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-BROMO-2,6-DIFLUOROPHENOL Use and Manufacturing
Intermediate 110N-Bromosuccinimide (3.60 g, 20.2 mmol) was added to a stirred solution of 2, 5-difluorophenol (2.61 g, 20.1 mmol) in DMF (10 mL) at 0 °C. The reaction mixture was stirred for 24 h at rt with shielding from light, then the reaction was quenched with H2, 6-Difluorophenol (1.02 g, 7.8 mmol) was dissolved in 15 mL of DMF, and at 0 NBS (1.40 g, 7.84 mmol) was added thereto. The reaction mixture was stirred for 24 hours at room temperature and concentrated. 50 mL of water was added thereto, and the mixture was extracted with Et2, 6-Difluorophenol (1.02 g, 7.8 mmol) was dissolve in 15 mL of DMF. NBS (1.40 g, 7.84 mmol) was added thereto at 0°C, and the mixture was stirred at room temperature for 24 hours. The reaction solution was concentrated, and 50 mL of water was added thereto. The reaction solution was extracted with Et2O and dried with MgSO4 to obtainthe title compound (1.41 g, 86percent).1H NMR (CDCl3) δ 7.08 (2H, m), 5.42 (1H, brs)To a solution of diisopropylamine (7.06 mL, 0.05 mol, leq), in THF (100 mL) under argon, cooled at -40
Used as intermediate for medicine and liquid crystal materials
Computed Properties
Molecular Weight:208.99
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:207.93353
Monoisotopic Mass:207.93353
Topological Polar Surface Area:20.2
Heavy Atom Count:10
Complexity:110
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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