3-(Trifluoromethoxy)benzoic acid
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3-(Trifluoromethoxy)benzoic acid
structure -
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CAS No:
1014-81-9
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Formula:
C8H5F3O3
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Chemical Name:
3-(Trifluoromethoxy)benzoic acid
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Synonyms:
Benzoic acid,3-(trifluoromethoxy)-;m-Anisic acid,α,α,α-trifluoro-;3-(Trifluoromethoxy)benzoic acid
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CAS No:
Characteristics
46.5
3.2
White powder
1.4±0.1 g/cm3
91-92 °C
243.8ºC at 760 mmHg
101.2±25.9 °C
1.478
Store in a cool, dry place. Store in a tightly closed container.
0.25mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36-S37/39
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 48 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:206.12
XLogP3:3.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:206.01907850
Monoisotopic Mass:206.01907850
Topological Polar Surface Area:46.5
Heavy Atom Count:14
Complexity:214
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-(Trifluoromethoxy)benzoic acid
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