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Merck
CN

91780

Sigma-Aldrich

4-(Trifluoromethyl)benzoic acid

purum, ≥97.0% (T)

Synonym(s):

α,α,α-Trifluoro-p-toluic acid, 4-Carboxybenzotrifluoride

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About This Item

Linear Formula:
CF3C6H4CO2H
CAS Number:
455-24-3
Molecular Weight:
190.12
Beilstein:
2049241
EC Number:
207-242-8
MDL number:
MFCD00002562
UNSPSC Code:
12352100
PubChem Substance ID:
24889561

Key Documents

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grade

purum

Assay

≥97.0% (T)

ign. residue

≤0.2%

mp

219-220 °C (lit.)
219-222 °C

SMILES string

[H]C(=O)\C(CCCCCC)=C\c1ccccc1
OC(=O)c1ccc(cc1)C(F)(F)F

InChI

1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)

InChI key

SWKPKONEIZGROQ-UHFFFAOYSA-N

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