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Substance Name: Benzoic acid, 2-((isocyanatosulfonyl)methyl)-, methyl ester
RN: 83056-32-0
InChIKey: HPFGDWSUQHUCBU-UHFFFAOYSA-N

Classification Code

  • TSCA Flag P (a Commenced PMN (Premanufacture Notice) Substance)

Molecular Formula

  • C10-H9-N-O5-S

Molecular Weight

  • 255.249
 
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Names and Synonyms

Synonym

  • EC 410-900-9

Systematic Names

  • 2-(Isocyanatosulfonylmethyl)benzoic acid methyl ester
  • Benzoic acid, 2-((isocyanatosulfonyl)methyl)-, methyl ester

Registry Numbers

CAS Registry Number

  • 83056-32-0

System Generated Number

  • 0083056320

Structure Descriptors

InChI

1S/C10H9NO5S/c1-16-10(13)9-5-3-2-4-8(9)6-17(14,15)11-7-12/h2-5H,6H2,1H3

InChIKey

HPFGDWSUQHUCBU-UHFFFAOYSA-N

Smiles

C(c1c(cccc1)CS(=O)(=O)N=C=O)(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LC inhalation > 1600mg/m3/1H (1600mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
National Technical Information Service. Vol. OTS0555091,