alpha-bromadiolone

French: alpha-bromadiolone (n.f.)Russian: альфа-бромадиолон


Status: ISO 1750 (provisionally approved)
PIN: mixture of ≥ 80% rel-3-[(1R,3R)-3-(4′-bromo[1,1′-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one and ≤ 20% rel-3-[(1R,3S)-3-(4′-bromo[1,1′-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one
IUPAC: mixture of ≥ 80% 3-[(1RS,3RS)-3-(4′-bromobiphenyl-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxycoumarin and ≤ 20% 3-[(1RS,3SR)-3-(4′-bromobiphenyl-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxycoumarin
CAS: 3-[3-(4′-bromo[1,1′-biphenyl]-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxy-2H-1-benzopyran-2-one
Reg. No.: 28772-56-7
Formula: C30H23BrO4
Activity: rodenticides (coumarin rodenticides)
Notes: The ISO common name bromadiolone was approved for a substance containing the same isomers as alpha-bromadiolone without specifying the proportions of the isomers. Old and new samples of bromadiolone have been analysed by the manufacturer and found to be identical, comprising a mixture of ≥ 80% (1RS,3SR)-isomer and ≤ 20% (1RS,3RS)-isomer. It is therefore necessary to amend the definition of bromadiolone to incorporate the proportion of isomers and thereby distinguish it from alpha-bromadiolone, and this will be done as part of the upcoming revision of ISO 1750.
Structure: Structural formula of alpha-bromadiolone
Pronunciation: ǎl-fa brō-ma--ō-lōn  Guide to British pronunciation
InChIKey: LQAGAOMQXARIFO-CPBLEMPESA-N (major component)
InChI: InChI=1S/2C30H23BrO4/c2*31-23-16-14-20(15-17-23)19-10-12-22(13-11-19)26(32)18-25(21-6-2-1-3-7-21)28-29(33)24-8-4-5-9-27(24)35-30(28)34/h2*1-17,25-26,32-33H,18H2/t2*25-,26-/m10/s1 (major component)

A data sheet from the Compendium of Pesticide Common Names