3-(Trifluoromethyl)benzoic acid
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3-(Trifluoromethyl)benzoic acid
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CAS No:
454-92-2
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Formula:
C8H5F3O2
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Chemical Name:
3-(Trifluoromethyl)benzoic acid
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Synonyms:
Benzoic acid,3-(trifluoromethyl)-;m-Toluic acid,α,α,α-trifluoro-;3-(Trifluoromethyl)benzoic acid;m-(Trifluoromethyl)benzoic acid;α,α,α-Trifluoro-m-toluic acid;NSC 43025;TFTA
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CAS No:
Description
White to light yellow crystal powde
3-trifluoromethylbenzoic acid is a benzoic acid carrying a trifluoromethyl substituent at the 3-position. It is a member of benzoic acids and a member of (trifluoromethyl)benzenes.
3-(Trifluoromethyl)benzoic acid Basic Attributes
190.12
190.12
207-230-2
930H336M90
43025
DTXSID2041460
2916399090
Characteristics
37.3
3
white to light yellow crystal powder
1.4±0.1 g/cm3
105.5 °C
238.5 °C
102.9±27.3 °C
1.475
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
0.0241mmHg at 25°C
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36-S24/25
Xi:Irritant
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P305 + P351 + P338
H315-H319-H335
3-(Trifluoromethyl)benzoic acid Use and Manufacturing
Benzoic acid, 3-(trifluoromethyl)-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
3-trifluoromethylbenzoic acid is a known environmental transformation product of flurtamone.
Computed Properties
Molecular Weight:190.12
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:190.02416388
Monoisotopic Mass:190.02416388
Topological Polar Surface Area:37.3
Heavy Atom Count:13
Complexity:200
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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