3,4,5-Trifluorobenzoic acid
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3,4,5-Trifluorobenzoic acid
structure -
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CAS No:
121602-93-5
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Formula:
C7H3F3O2
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Chemical Name:
3,4,5-Trifluorobenzoic acid
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Synonyms:
Benzoic acid,3,4,5-trifluoro-;3,4,5-Trifluorobenzoic acid
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CAS No:
Characteristics
37.3
1.7
white to light yellow crystal powder
1,12g/cm
98 °C
116-118C/100Torr
105.9±25.9 °C
1,471-1,473
0.0107mmHg at 25°C
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-37/39-36
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 46 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
3,4,5-Trifluorobenzoic acid Use and Manufacturing
Used as an intermediate in organic synthesis
Benzoic acid, 3,4,5-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:174
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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