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Substance Name: 3-Nitrobenzeneboronic acid
RN: 13331-27-6
InChIKey: ZNRGSYUVFVNSAW-UHFFFAOYSA-N

Molecular Formula

  • C6-H6-B-N-O4

Molecular Weight

  • 166.927
 
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Names and Synonyms

Name of Substance

  • 3-Nitrobenzeneboronic acid

Synonyms

  • 3-Nitrobenzeneboronic acid
  • 3-Nitrophenylboronic acid
  • 4-16-00-01670 (Beilstein Handbook Reference)
  • AI3-60393
  • Benzeneboronic acid, m-nitro-
  • Boronic acid, (3-nitrophenyl)-
  • BRN 2938638
  • m-Nitrobenzeneboronic acid
  • m-Nitrophenylboronic acid
  • NSC 59739

Systematic Names

  • Benzeneboronic acid, m-nitro-
  • Boronic acid, (3-nitrophenyl)-
  • Boronic acid, B-(3-nitrophenyl)-

Registry Numbers

CAS Registry Number

  • 13331-27-6

System Generated Number

  • 0013331276

Structure Descriptors

InChI

1S/C6H6BNO4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4,9-10H

InChIKey

ZNRGSYUVFVNSAW-UHFFFAOYSA-N

Smiles

[N+](c1cc(B(O)O)ccc1)([O-])=O

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#01859,