2,3,4,5-Tetrafluorobenzoic acid
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2,3,4,5-Tetrafluorobenzoic acid
structure -
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CAS No:
1201-31-6
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Formula:
C7H2F4O2
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Chemical Name:
2,3,4,5-Tetrafluorobenzoic acid
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Synonyms:
Benzoic acid,2,3,4,5-tetrafluoro-;2,3,4,5-Tetrafluorobenzoic acid;3,4,5,6-Tetrafluorobenzoic acid;NSC 168728
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CAS No:
2,3,4,5-Tetrafluorobenzoic acid Basic Attributes
194.08
194.08
2052670
-0
168728
DTXSID80304992
29163990
Characteristics
37.3
1.8
White to pale yellow powder
1.5165 (estimate)
86 °C
135-137 °C @ Press: 23 Torr
98.5±25.9 °C
1.470
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36-37/39
Xi
Irritant
P261-P305 + P351 + P338
H315-H319-H335
|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 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,3,4,5-Tetrafluorobenzoic acid Use and Manufacturing
1. Phthalic anhydride method. 2. 3, 4, 5, 6-tetrafluorophthalic acid method A certain amount of 3, 4, 5, 6-tetrafluorophthalic acid and H2O are stirred at 190℃ for 5h, and the reaction liquid is filtered and washed , Dry a part of the product, and then extract the product in the filtrate with ether. The final product yield is 94.5%.
Organic synthesis, pharmaceutical synthesis, liquid crystal, pesticides and other intermediates can be used to synthesize fluoroquinolone antibacterial drugs such as ofloxacin.
Benzoic acid, 2,3,4,5-tetrafluoro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:194.08
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:193.99909195
Monoisotopic Mass:193.99909195
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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