3-Bromo-2-fluorobenzoic acid
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3-Bromo-2-fluorobenzoic acid
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CAS No:
161957-56-8
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Formula:
C7H4BrFO2
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Chemical Name:
3-Bromo-2-fluorobenzoic acid
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Synonyms:
Benzoic acid,3-bromo-2-fluoro-;3-Bromo-2-fluorobenzoic acid;3-Bromo-2-fluorobenzenecarboxylic acid;2-Fluoro-3-bromobenzoic acid
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CAS No:
Characteristics
37.3
2.2
1.789±0.06 g/cm3(Predicted)
168 °C
298.2±25.0 °C(Predicted)
134.1±23.2 °C
1.583
Safety Information
IRRITANT
36
26
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 9 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3-Bromo-2-fluorobenzoic acid Use and Manufacturing
INTERMEDIATE PREPARATION 76-bromo-7-fluoro-1 /-/-indole-2, 3-dione3-bromo-2-fluorobenzoic acidTo a solution of diisopropylamine (84.3 mL, 600 mmol) in THF (500 mL) at -30°C was added n-BuLi (240 mL of a 2.5M solution, 600 mmol) dropwise. The resulting solution was stirred at -30°C for 30 min. This mixture was added dropwise to a solution of 1-bromo-2- fluorobenzene (100 g, 571 .43 mmol) in THF (500 mL) at -78°C. After the addition was complete, the resulting solution was stirred at -78°C for 2 h and poured over crushed solid C0Example 19 3-Bromo-2-fhiorobenzoic acidTo a stirred solution of 2, 2, 6, 6-tetramethylpiperidine (31.1 g, 0.22 mol) in THF (200 mL) was added dropwise a solution of butyl lithium (0.22 mol) in hexane (146.7 mL) at -10 Intermediate 38: 3-Bromo-2-fluorobenzoic acid
Computed Properties
Molecular Weight:219.01
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:217.93787
Monoisotopic Mass:217.93787
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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