2,4,5-Trifluorobenzoic acid
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2,4,5-Trifluorobenzoic acid
structure -
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CAS No:
446-17-3
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Formula:
C7H3F3O2
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Chemical Name:
2,4,5-Trifluorobenzoic acid
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Synonyms:
Benzoic acid,2,4,5-trifluoro-;2,4,5-Trifluorobenzoic acid
- Categories:
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CAS No:
2,4,5-Trifluorobenzoic acid Basic Attributes
176.09
176.09
3257609
1308068-626-2
DTXSID20334571
2916399090
Characteristics
37.3
1.7
1.5±0.1 g/cm3
100 °C
241.9°C at 760 mmHg
100.1±25.9 °C
1.491
Store below +30°C.
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36-24/25
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 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,4,5-Trifluorobenzoic acid Use and Manufacturing
1. Using tetrachloroisophthalonitrile (ie chlorothalonil) as the starting material, it is fluorinated, selectively reduced, and partially defluorinated into 2, 4, 5-trifluoroisophthalonitrile, and then hydrolyzed into 2, 4, 5-trifluoroisophthalic acid, and finally selective decarboxylation to obtain this product. 2. 2, 4-Difluoroaniline method. The product yield was 80.2%. 3. 1, 2, 4-Trifluorobenzene method. The first step reaction yield was 89%, and the second step yield was 90.1%.
This product is a fine organic fluorine synthesis intermediate, which can be used in the synthesis of temafloxacin and liquid crystals; used as a pharmaceutical intermediate, and also used to prepare liquid crystal materials for aviation and aerospace
Benzoic acid, 2,4,5-trifluoro-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:176.09
XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:176.00851382
Monoisotopic Mass:176.00851382
Topological Polar Surface Area:37.3
Heavy Atom Count:12
Complexity:186
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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