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Substance Name: Benzeneboronic acid, o-phenylene ester
RN: 5747-23-9
InChIKey: NDSRMXNIVBRWFG-UHFFFAOYSA-N

Molecular Formula

  • C12-H9-B-O2

Molecular Weight

  • 196.012
 
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Names and Synonyms

Synonyms

  • 2-Phenyl-1,3,2-benzodioxaborole
  • 4-16-00-01658 (Beilstein Handbook Reference)
  • AI3-61017
  • Benzeneboronic acid, o-phenylene ester
  • BRN 2938975
  • NSC 54020
  • o-Phenylene benzeneboronate

Systematic Names

  • 1,3,2-Benzodioxaborole, 2-phenyl-
  • Benzeneboronic acid, cyclic o-phenylene ester (8CI)
  • Benzeneboronic acid, o-phenylene ester

Registry Numbers

CAS Registry Number

  • 5747-23-9

System Generated Number

  • 0005747239

Structure Descriptors

InChI

1S/C12H9BO2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H

InChIKey

NDSRMXNIVBRWFG-UHFFFAOYSA-N

Smiles

B1(Oc2ccccc2O1)c1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 180mg/kg (180mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01862,