Skip to Content
Merck
All Photos(1)

Key Documents

View All Documentation

Safety Information

301388

Sigma-Aldrich

3-(Trifluoromethoxy)benzoic acid

97%

Sign Into View Organizational & Contract Pricing
All Photos(1)

About This Item

Linear Formula:
CF3OC6H4CO2H
CAS Number:
1014-81-9
Molecular Weight:
206.12
EC Number:
213-802-2
MDL number:
MFCD00041501
UNSPSC Code:
12352100
PubChem Substance ID:
24858184
NACRES:
NA.22

Quality Level

100

Assay

97%

mp

89-92 °C (lit.)

functional group

carboxylic acid
fluoro

SMILES string

OC(=O)c1cccc(OC(F)(F)F)c1

InChI

1S/C8H5F3O3/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)

InChI key

OKPFIWIMBJNFSE-UHFFFAOYSA-N

General description

Kinetics of internal acyl migration and hydrolysis of the synthetic β-1-O-acyl-D-glucopyranuronates of 2-, 3-, and 4-(trifluoromethyl)benzoic acids in phosphate buffer was studied.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

301388-VAR:
301388-5G:
301388-BULK:
301388-1G:

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCP0409
MKBZ3505V
MKBJ5179V
MKBF8771V
03621BJ

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

A W Nicholls et al.
Chemical research in toxicology, 9(8), 1414-1424 (1996-12-01)
High resolution 19F NMR spectroscopy has been used to investigate the kinetics of internal acyl migration and hydrolysis of the synthetic beta -1-O-acyl-D-glucopyranuronates of 2-, 3-, and 4-(trifluoromethyl) benzoic acids (TFMBAs) in phosphate buffer solutions at 30 degrees C as

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service