98752-36-4

Basic information

• Product Name: 3,5-dideuterio-1,4-dihydrobenzoic acid
• Synonyms: 3,5-dideuterio-1,4-dihydrobenzoic acid
• CAS NO: 98752-36-4
• Molecular Weight: 126.123
• Mol File: 98752-36-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 3,5-dideuterio-1,4-dihydrobenzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-dideuterio-1,4-dihydrobenzoic acid(98752-36-4)
• EPA Substance Registry System: 3,5-dideuterio-1,4-dihydrobenzoic acid(98752-36-4)

Safety Data

• Hazardous Substances Data: 98752-36-4(Hazardous Substances Data)

Upstream product

• 37960-84-2 [3,5-D₂]benzoic acid 

Downstream Products

• 98752-33-1 3,5-dideuterio-1,4-dihydro-1-methylbenzoic acid 

Relevant articles and documents

A Study of Gaseous Benzenium and Toluenium Ions generated from 1,4-Dihydro- and 1-Methyl-1,4-dihydro-benzoic Acids

Gaseous benzenium C6H7(1+) (1) and toluenium C7H9(1+) (2) ions have been generated by mass spectrometric loss of .CO2H from the corresponding 1,4-dihydrobenzoic acids (3) and (4), and their fragmentations after ca. 10 μs have been investigated by means of mass-analysed ion kinetic energy (MIKE) spectrometry of some 2H and 13C labelled analogues.Metastable C6H7(1+) ions eliminate H2 after proton randomization, whereas metastable C7H9(1+) ions expel both H2 and CH4 after incomplete proton equilibration.In particular, 40percent of C7H9(1+) ions randomize all their carbon and hydrogen atoms prior to loss of CH4, and 60percent of C7H9(1+) ions lose the original methyl group along with a hydrogen atom from the (proton-equilibrated) benzenium ring, accompanied by a slow and incomplete exchange between the hydrogen atoms of the ring and the methyl group.It is suggested that loss of both CH4 and H2 occur via the (ipso-)toluenium ion (2).The role of a non-classical C7H9(1+) isomer, phenylmethonium ion (6), is discussed since striking similarities are found compared * adducts from ion-molecule reactions described in the literature.