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Substance Name: Cyanuric acid
RN: 108-80-5
UNII: H497R4QKTZ
InChIKey: ZFSLODLOARCGLH-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C3-H3-N3-O3

Molecular Weight

  • 129.075
 

Names and Synonyms

Name of Substance

  • Cyanuric acid

Synonyms

  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione
  • 2,4,6-Trihydroxy-1,3,5-triazine
  • AI3-26483
  • Caswell No. 862
  • CCRIS 5895
  • CP 4789
  • Cyanuric acid
  • Cyanuric acid (VAN)
  • EC 203-618-0
  • EINECS 203-618-0
  • EPA Pesticide Chemical Code 081402
  • HSDB 2818
  • Isocyanurate acid
  • Isocyanuric acid
  • Kyselina kyanurova
  • Kyselina kyanurova [Czech]
  • NSC 6284
  • Pseudocyanuric acid
  • s-2,4,6-Triazinetriol
  • s-Cyanuric acid
  • s-Triazine-2,4,6(1H,3H,5H)-trione
  • s-Triazinetriol
  • sym-Triazinetriol
  • Tricyanic acid
  • Trihydroxycyanidine
  • Trihydroxytriazine
  • UNII-H497R4QKTZ

Systematic Names

  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione
  • Cyanuric acid
  • s-Triazine-2,4,6(1H,3H,5H)-trione (8CI)
  • s-Triazine-2,4,6-triol

Superlist Names

  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione
  • Cyanuric acid
  • Isocyanuric acid

Registry Numbers

CAS Registry Number

  • 108-80-5

FDA UNII

  • H497R4QKTZ

Other Registry Numbers

  • 134016-52-7
  • 273203-07-9
  • 504-19-8

Related Registry Numbers

  • 2624-17-1 (mono-hydrochloride salt)
  • 3047-33-4 (tri-hydrochloride salt)
  • 36452-21-8 (di-hydrochloride salt)
  • 40580-20-9 (NH3Cu(+2) salt)

System Generated Number

  • 0000108805

Structure Descriptors

InChI

1S/C3H3N3O3/c7-1-4-2(8)6-3(9)5-1/h(H3,4,5,6,7,8,9)

InChIKey

ZFSLODLOARCGLH-UHFFFAOYSA-N

Smiles

c1(nc(nc(n1)O)O)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 oral > 5gm/kg (5000mg/kg)   Yakkyoku. Pharmacy. Vol. 31, Pg. 959, 1980.
mouse LD50 intravenous > 500mg/kg (500mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 27(12), Pg. 13, 1962.
mouse LD50 oral 3400mg/kg (3400mg/kg)   Zhurnal Eksperimental'noi i Klinicheskoi Meditsiny. Journal of Experimental and Clinical Medicine. Vol. 25, Pg. 345, 1985.
rabbit LD oral > 10gm/kg (10000mg/kg)   Monsanto Co. Toxicity Information. Vol. -, Pg. -, 1972.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   National Technical Information Service. Vol. OTS0538650,
rat LD50 intravenous > 100mg/kg (100mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 27(12), Pg. 13, 1962.
rat LD50 oral 7700mg/kg (7700mg/kg)   Zhurnal Eksperimental'noi i Klinicheskoi Meditsiny. Journal of Experimental and Clinical Medicine. Vol. 25, Pg. 345, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 360 deg C   EXP
pKa Dissociation Constant 7.2 (none)   EXP
log P (octanol-water) 0.610 (none)   EST
Water Solubility 2000 mg/L 25 EXP
Vapor Pressure 3.05E-08 mm Hg 25 EST
Henry's Law Constant 1.36E-18 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.69E-13 cm3/molecule-sec 25 EST

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