Skip to Content
Merck
All Photos(1)

Documents

900729

Sigma-Aldrich

4-(Trifluoromethyl)benzoic acid-α-13C

99 atom % 13C

Synonym(s):

α,α,α-Trifluoro-p-toluic-carboxy-13C acid

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

About This Item

Empirical Formula (Hill Notation):
13CC7H5F3O2
CAS Number:
698999-46-1
Molecular Weight:
191.11
MDL number:
MFCD08702905
UNSPSC Code:
12352101
PubChem Substance ID:
329759827

isotopic purity

99 atom % 13C

form

powder

mp

220 °C (lit.)

mass shift

M+1

SMILES string

O[13C](=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)/i7+1

InChI key

SWKPKONEIZGROQ-CDYZYAPPSA-N

Packaging

This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

Already Own This Product?

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

Visit the Document Library

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