2-Fluoro-4-(trifluoromethyl)benzoic acid
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2-Fluoro-4-(trifluoromethyl)benzoic acid
structure -
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CAS No:
115029-24-8
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Formula:
C8H4F4O2
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Chemical Name:
2-Fluoro-4-(trifluoromethyl)benzoic acid
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Synonyms:
Benzoic acid,2-fluoro-4-(trifluoromethyl)-;2-Fluoro-4-(trifluoromethyl)benzoic acid
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CAS No:
Characteristics
37.30000
2.54270
white crystals
1.4412 (estimate)
160 °C
231.4±40.0 °C(Predicted)
93.7ºC
0.0349mmHg at 25°C
2.76±0.10
Safety Information
IRRITANT
3
36/37/38-37/38-36
26-37/39-36/37/39-27
Xi
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:208.11
XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:208.01474201
Monoisotopic Mass:208.01474201
Topological Polar Surface Area:37.3
Heavy Atom Count:14
Complexity:226
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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