2-(Trifluoromethyl)benzoic acid
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2-(Trifluoromethyl)benzoic acid
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CAS No:
433-97-6
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Formula:
C8H5F3O2
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Chemical Name:
2-(Trifluoromethyl)benzoic acid
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Synonyms:
Benzoic acid,2-(trifluoromethyl)-;o-Toluic acid,α,α,α-trifluoro-;2-(Trifluoromethyl)benzoic acid;α,α,α-Trifluoro-o-toluic acid;o-(Trifluoromethyl)benzoic acid;NSC 88326
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CAS No:
Description
slightly yellow to yellow-brown crystalline powder
2-(trifluoromethyl)benzoic acid is a benzoic acid carrying a trifluoromethyl substituent at the 2-position. It is a member of benzoic acids and a member of (trifluoromethyl)benzenes.
2-(Trifluoromethyl)benzoic acid Basic Attributes
190.12
190.12
976984
240-989-8
0R1CK7MZUA
88326
2916399090
Characteristics
37.3
1.3
Slightly yellow to yellow-brown Crystalline Powder
1.4±0.1 g/cm3
111 °C
247 °C753 mm Hg(lit.)
247-254°C
1.475
4.8g/L(25 ºC)
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
507mmHg at 25°C
Safety Information
IRRITANT
UN 1549 6.1/PG 3
2
20/22-51/53-36/37/38
61-36-26
Xn,N,Xi
Irritant
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P305 + P351 + P338
H315-H319-H335
2-(Trifluoromethyl)benzoic acid Use and Manufacturing
The preparation method is to add 2-chloro-trifluoromethylbenzene to the solvent tetrahydrofuran, then add magnesium metal at 55-60°C, add in batches to make Grignard reaction, and then add dry ice (carbon dioxide) in ether Stir the reaction to obtain the finished product.
O-Trifluoromethyl benzoic acid is an intermediate of the bactericide fluoroamide.
Benzoic acid, 2-(trifluoromethyl)-: ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:190.12
XLogP3:1.3
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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