4-Bromo-2-fluoro-6-nitrophenol
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4-Bromo-2-fluoro-6-nitrophenol
structure -
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CAS No:
320-76-3
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Formula:
C6H3BrFNO3
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Chemical Name:
4-Bromo-2-fluoro-6-nitrophenol
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Synonyms:
Phenol,4-bromo-2-fluoro-6-nitro-;4-Bromo-2-fluoro-6-nitrophenol;2-Fluoro-4-bromo-6-nitrophenol
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CAS No:
Characteristics
66
2.7
white to light yellow crystal powder
1.965g/cm3
62 °C
241.4°C at 760 mmHg
99.8ºC
1.623
Safety Information
NONH for all modes of transport
3
R20/21/22;R36/37/38
S26-S36
Xn: Harmful;
P261-P280-P305 + P351 + P338
H302 + H312 + H332-H315-H319-H335
|Warning|H302 (100%): 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 44 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Bromo-2-fluoro-6-nitrophenol Use and Manufacturing
Into a 250-mL round bottle, to a solution of Into a 250-mL round bottle, to a solution of Into a 250-mL round bottle, to a solution of To a solution of 4-Bromo-2-fluoro-6-nitrophenol (500 mg, 2.06 mmol) in anhydrous DMF (5 mL) at -30/40C is added oxalyl chloride (0.35 mL, 4.11 mmol, 2 eq), dropwise. The resulting white heterogeneous mixture is then stirred for 15 min at -40C and heated up to 80C for 4h30. The RM is cooled to RT. Ice and water (20 mL) are successively added and the mixture is stirred further for 20 min. The yellow precipitate is collected by filtration and dried under HV to afford the title compound as a yellow solid (418 mg, 79%). LC- MS A: tR = 0.89 min; no ionization.
Computed Properties
Molecular Weight:235.99
XLogP3:2.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Exact Mass:234.92803
Monoisotopic Mass:234.92803
Topological Polar Surface Area:66
Heavy Atom Count:12
Complexity:186
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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