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Product Overview

Product Code

TRC-T786747

CAS Number

461426-32-4

Product Format

Neat

Molecular Formula

C9H2D4F3NO3

Molecular Weight

237.17

Product Categories

TRC, Stable isotopes, API Reference Standards & Research Materials

Product Type

Stable Isotope Labelled, API

Unlabelled CAS Number

404-26-2

Product Information

Chemical Data

Analyte Name

4-(Trifluoroacetylamino)benzoic Acid-d4

CAS Number

461426-32-4

Molecular Formula

C9H2D4F3NO3

Molecular Weight

237.17

Accurate Mass

237.0551

SMILES

[2H]c1c([2H])c(C(=O)O)c([2H])c([2H])c1NC(=O)C(F)(F)F

InChI

InChI=1S/C9H6F3NO3/c10-9(11,12)8(16)13-6-3-1-5(2-4-6)7(14)15/h1-4H,(H,13,16)(H,14,15)/i1D,2D,3D,4D

IUPAC

2,3,5,6-tetradeuterio-4-[(2,2,2-trifluoroacetyl)amino]benzoic acid

Unlabelled CAS Number

404-26-2

SIL Type

Deuterium

Product Data

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

Product Description

Intermediate in the production of labelled Folic Acid

References: Jones, P., et al.: J. Med. Chem., 41, 3062 (1998),

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