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Substance Name: Trimethyl isocyanurate
RN: 827-16-7
InChIKey: AHWDQDMGFXRVFB-UHFFFAOYSA-N

Molecular Formula

  • C6-H9-N3-O3

Molecular Weight

  • 171.1551
 
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Names and Synonyms

Name of Substance

  • Trimethyl isocyanurate

Synonyms

  • 1,3,5-Trimethyl-2,4,6-trioxohexahydrotriazine
  • Isocyanuric acid, trimethyl ester
  • Methyl isocyanate trimer
  • NSC 9322
  • Trimethyl isocyanurate

Systematic Names

  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trimethyl-
  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trimethyl- (9CI)
  • s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trimethyl- (8CI)

Registry Numbers

CAS Registry Number

  • 827-16-7

System Generated Number

  • 0000827167

Structure Descriptors

InChI

1S/C6H9N3O3/c1-7-4(10)8(2)6(12)9(3)5(7)11/h1-3H3

InChIKey

AHWDQDMGFXRVFB-UHFFFAOYSA-N

Smiles

Cn1c(=O)n(c(=O)n(c1=O)C)C

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 176.5 deg C   EXP
Boiling Point 274 deg C   EXP
log P (octanol-water) 2.590 (none)   EST
Atmospheric OH Rate Constant 4.67E-12 cm3/molecule-sec 25 EST

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