2,5-Bis(trifluoromethyl)benzoic acid
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2,5-Bis(trifluoromethyl)benzoic acid
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CAS No:
42580-42-7
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Formula:
C9H4F6O2
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Chemical Name:
2,5-Bis(trifluoromethyl)benzoic acid
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Synonyms:
Benzoic acid,2,5-bis(trifluoromethyl)-;2,5-Bis(trifluoromethyl)benzoic acid
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CAS No:
Description
white to light yellow crystal powder
2,5-bis(trifluoromethyl)benzoic acid is a benzoic acid carrying trifluoromethyl substituents at the 2- and 5-positions. It is a member of benzoic acids and a member of (trifluoromethyl)benzenes.
Characteristics
37.3
3.2
white to light yellow crystal powder
1.319g/cm3
78-80 °C(lit.)
248.5°C at 760 mmHg
1.424
Safety Information
IRRITANT
NONH for all modes of transport
3
36/37/38
26-37/39
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 46 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:258.12
XLogP3:3.2
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:295
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2,5-Bis(trifluoromethyl)benzoic acid
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