3,5-Bis(trifluoromethyl)benzoic acid
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3,5-Bis(trifluoromethyl)benzoic acid
structure -
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CAS No:
725-89-3
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Formula:
C9H4F6O2
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Chemical Name:
3,5-Bis(trifluoromethyl)benzoic acid
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Synonyms:
Benzoic acid,3,5-bis(trifluoromethyl)-;3,5-Bis(trifluoromethyl)benzoic acid;NSC 88282;3,5-Di(trifluoromethyl)benzoic acid
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CAS No:
3,5-Bis(trifluoromethyl)benzoic acid Basic Attributes
258.12
258.12
2058600
211-970-1
NN52L84T3A
88282
DTXSID20222808
2916399090
Characteristics
37.3
3.8
Light yellow to beige solid.
1.5±0.1 g/cm3
142-143 °C (sublm)
260ºC
89.2±27.3 °C
1.424
Slightly soluble in water.
Store in a cool, dry place. Store in a tightly closed container.
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-36-37/39
DG4448020
Xi
Irritant
Stable under normal temperatures and pressures.
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 137 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:258.12
XLogP3:3.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:1
Exact Mass:258.01154834
Monoisotopic Mass:258.01154834
Topological Polar Surface Area:37.3
Heavy Atom Count:17
Complexity:273
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3,5-Bis(trifluoromethyl)benzoic acid
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