2-Bromo-2,2-difluoroacetic acid
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2-Bromo-2,2-difluoroacetic acid
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CAS No:
354-08-5
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Formula:
C2HBrF2O2
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Chemical Name:
2-Bromo-2,2-difluoroacetic acid
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Synonyms:
Acetic acid,2-bromo-2,2-difluoro-;Acetic acid,bromodifluoro-;2-Bromo-2,2-difluoroacetic acid;Bromodifluoroacetic acid
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CAS No:
Safety Information
Ⅲ
CORROSIVE
1760
8
C
Corrosive
P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, P501
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 22 companies from 3 notifications to the ECHA C&L Inventory.
2-Bromo-2,2-difluoroacetic acid Use and Manufacturing
To tris(5-bromo-2-methoxyphenyl)antimony (0.100 g, 0.15 mmol) and 2, 3, 4, 5-tetrafluorobenzoic acid (0.057 g, 0.30 mmol) in diethyl ether (20 mL), a 70% aqueous solution of tert-butyl hydroperoxide (0.019 g, 0.15 mmol) was added. The mixture was allowed tostand for 24 h at room temperature to obtain colorless crystals with a weight of 0.136 g (87%) and Tm =224C. IR spectrum (nu, cm-1): 1668 (C=O), 1300 (O-Me), 1281, 1254 (C-F), 1146, 1098 (C-Br), 523 (Sb-C), 446 (Sb-O).For C35H20Br3F8O7Sb, anal. calcd. (%): C, 39.43; H, 1.89.Found (%): C, 39.40; H, 1.93. Bis(bromodifluoroacetato)tris(5-bromo-2-methoxyphenyl)antimony (2) and bis(heptafluorobutylato)tris(5-bromo-2-metoxyphenyl)antimony (3) were synthesized by a similar method. The yield of complex 2 was 73%, and its Tm= 180. IR spectrum (nu, cm-1): 1715 (C=O), 1281 (O-Me), 1258, 1171 (C-F), 1152, 1134, 1048 (C-Br), 1013, 525 (Sb-C), 432 (Sb-O). For C25H18Br5F4O7Sb, anal. calcd. (%): C, 29.21;H, 1.77. Found (%): C, 29.18; H, 1.80.
Computed Properties
Molecular Weight:174.93
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:173.91280
Monoisotopic Mass:173.91280
Topological Polar Surface Area:37.3
Heavy Atom Count:7
Complexity:91.7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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