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Substance Name: Symclosene [USAN:INN]
RN: 87-90-1
UNII: RL3HK1I66B
InChIKey: YRIZYWQGELRKNT-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Anti-Infective, Topical
  • Germicide, Bactericide, Disinfectant
  • Human Data
  • Skin / Eye Irritant

Molecular Formula

  • C3-Cl3-N3-O3

Molecular Weight

  • 232.41
 

Names and Synonyms

Name of Substance

  • Symclosene
  • Symclosene [USAN:INN]
  • Trichloroisocyanuric acid

Synonyms

  • 1,3,5-Triazine, 2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-
  • 1,3,5-Trichloro-2,4,6-trioxohexahydro-s-triazine
  • 1,3,5-Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione
  • 1,3,5-Trichloro-s-triazinetrione
  • 1,3,5-Trichloroisocyanuric acid
  • 4-26-00-00642 (Beilstein Handbook Reference)
  • ACL 85
  • AI3-17193
  • BRN 0202022
  • Caswell No. 876B
  • CBD 90
  • CCRIS 2311
  • CDB 90
  • Chloreal
  • EINECS 201-782-8
  • EPA Pesticide Chemical Code 081405
  • Fi Clor 91
  • Fichlor 91
  • HSDB 885
  • Isocyanuric chloride
  • Kyselina trichloisokyanurova
  • Kyselina trichloisokyanurova [Czech]
  • N,N',N''-Trichloroisocyanuric acid
  • Neochlor 90
  • NSC 405124
  • NSC-405124
  • Sincloseno
  • Sincloseno [INN-Spanish]
  • Symclosen
  • Symclosene
  • Symclosenum
  • Symclosenum [INN-Latin]
  • Trichlorinated isocyanuric acid
  • Trichlorisocyanursaeure
  • Trichloro-s-triazine-2,4,6(1H,3H,5H)-trione
  • Trichloro-s-triazinetrione
  • Trichlorocyanuric acid
  • Trichloroisocyanic acid
  • Trichloroisocyanurate
  • Trichloroisocyanuric acid
  • UNII-RL3HK1I66B

Systematic Names

  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-
  • s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-
  • Symclosene
  • Trichloroisocyanuric acid

Superlist Names

  • 1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-
  • s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-trichloro-
  • Trichloro-s-triazinetrione
  • Trichloroisocyanuric acid
  • Trichloroisocyanuric acid, dry
  • Trichloroisocyanuric acid, dry [UN2468] [Oxidizer]
  • UN2468

Registry Numbers

CAS Registry Number

  • 87-90-1

FDA UNII

  • RL3HK1I66B

Other Registry Numbers

  • 1062228-50-5
  • 499583-31-2

Related Registry Number

  • 29680-41-9 (hydrochloride salt)

System Generated Number

  • 0000087901

Structure Descriptors

InChI

1S/C3Cl3N3O3/c4-7-1(10)8(5)3(12)9(6)2(7)11

InChIKey

YRIZYWQGELRKNT-UHFFFAOYSA-N

Smiles

c1(=O)n(c(=O)n(c(=O)n1Cl)Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
human LDLo oral 3570mg/kg (3570mg/kg) GASTROINTESTINAL: ULCERATION OR BLEEDING FROM STOMACH "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 167, 1969.
mammal (species unspecified) LD50 oral 750mg/kg (750mg/kg)   Yakkyoku. Pharmacy. Vol. 31, Pg. 959, 1980.
rabbit LDLo oral 1900mg/kg (1900mg/kg) BEHAVIORAL: COMA Monsanto Co. Toxicity Information. Vol. -, Pg. -, 1972.
rabbit LDLo skin 5010mg/kg (5010mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: FOOD INTAKE (ANIMAL)

LIVER: OTHER CHANGES		 National Technical Information Service. Vol. OTS0570617,
rat LC inhalation > 2gm/m3/1H (2000mg/m3)   Monsanto Co. Toxicity Information. Vol. -, Pg. -, 1972.
rat LD50 oral 406mg/kg (406mg/kg)   Toxicology and Applied Pharmacology. Vol. 42, Pg. 417, 1977.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 246.7 dec deg C   EXP
log P (octanol-water) 0.940 (none)   EST
Water Solubility 1.20E+04 mg/L 25 EXP
Vapor Pressure 1.25E-07 mm Hg 25 EST
Henry's Law Constant 6.19E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 3.00E-12 cm3/molecule-sec 25 EST

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