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Substance Name: p-Tolueneboronic acid, cyclic neopentanetetrayl ester
RN: 7091-41-0
InChIKey: LIKRJSWBWZSSLR-UHFFFAOYSA-N

Classification Code

  • Organometallic

Molecular Formula

  • C19-H22-B2-O4

Molecular Weight

  • 336.001
 
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Names and Synonyms

Synonyms

  • 2,4,8,10-Tetraoxa-3,9-diboraspiro(5.5)undecane, 3,9-ditolyl-
  • Di (p. methylbenzeneboronate) de pentaerythritol
  • Di (p. methylbenzeneboronate) de pentaerythritol [French]
  • Di-(p-methylbenzeneboronate) of pentaerythritol
  • Pentaerythritol di(p-methylbenzeneboronate)
  • pMbbp

Systematic Names

  • 2,4,8,10-Tetraoxa-3,9-diboraspiro(5.5)undecane, 3,9-bis(4-methylphenyl)-
  • p-Tolueneboronic acid, cyclic neopentanetetrayl ester

Registry Numbers

CAS Registry Number

  • 7091-41-0

System Generated Number

  • 0007091410

Structure Descriptors

InChI

1S/C19H22B2O4/c1-15-3-7-17(8-4-15)20-22-11-19(12-23-20)13-24-21(25-14-19)18-9-5-16(2)6-10-18/h3-10H,11-14H2,1-2H3

InChIKey

LIKRJSWBWZSSLR-UHFFFAOYSA-N

Smiles

C1OB(OCC21COB(OC2)c1ccc(cc1)C)c1ccc(cc1)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 860mg/kg (860mg/kg)   Agressologie. Revue Internationale de Physio-Biologie et de Pharmacologie Appliquees aux Effets de l'Agression. Vol. 9, Pg. 537, 1968.
mouse LD50 intraperitoneal 860mg/kg (860mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Agressologie. Revue Internationale de Physio-Biologie et de Pharmacologie Appliquees aux Effets de l'Agression. Vol. 9, Pg. 537, 1968.
mouse LD50 oral 1810mg/kg (1810mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)
Agressologie. Revue Internationale de Physio-Biologie et de Pharmacologie Appliquees aux Effets de l'Agression. Vol. 9, Pg. 537, 1968.
rat LD50 intraperitoneal 570mg/kg (570mg/kg)   Agressologie. Revue Internationale de Physio-Biologie et de Pharmacologie Appliquees aux Effets de l'Agression. Vol. 9, Pg. 537, 1968.
rat LD50 intraperitoneal 570mg/kg (570mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Agressologie. Revue Internationale de Physio-Biologie et de Pharmacologie Appliquees aux Effets de l'Agression. Vol. 9, Pg. 537, 1968.
rat LD50 oral 1130mg/kg (1130mg/kg)   Agressologie. Revue Internationale de Physio-Biologie et de Pharmacologie Appliquees aux Effets de l'Agression. Vol. 9, Pg. 537, 1968.
rat LD50 oral 1130mg/kg (1130mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Agressologie. Revue Internationale de Physio-Biologie et de Pharmacologie Appliquees aux Effets de l'Agression. Vol. 9, Pg. 537, 1968.