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Substance Name: Methyl besylate
RN: 80-18-2
UNII: 69X50842RM
InChIKey: CZXGXYBOQYQXQD-UHFFFAOYSA-N

Molecular Formula

  • C7-H8-O3-S

Molecular Weight

  • 172.203
 
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Names and Synonyms

Name of Substance

  • Methyl besylate

Synonyms

  • 20ND3-5
  • 4-11-00-00029 (Beilstein Handbook Reference)
  • AI3-06624
  • BRN 0908448
  • CCRIS 9156
  • EINECS 201-256-8
  • Methyl benzenesulfonate
  • NSC 06624
  • NSC 3214
  • UNII-69X50842RM

Systematic Names

  • Benzenesulfonic acid, methyl ester
  • Methyl benzenesulphonate

Registry Numbers

CAS Registry Number

  • 80-18-2

FDA UNII

  • 69X50842RM

System Generated Number

  • 0000080182

Structure Descriptors

InChI

1S/C7H8O3S/c1-10-11(8,9)7-5-3-2-4-6-7/h2-6H,1H3

InChIKey

CZXGXYBOQYQXQD-UHFFFAOYSA-N

Smiles

c1(S(OC)(=O)=O)ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 250mg/kg (250mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 82, 1986.
rat LD50 oral 740mg/kg (740mg/kg) BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 82, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.920 (none)   EST
Water Solubility 3120 mg/L 25 EXP
Atmospheric OH Rate Constant 5.12E-13 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.