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Substance Name: Dicloralurea [USAN:INN]
RN: 116-52-9
UNII: 9J3ZB93FIE
InChIKey: PPJXIHLNYDVTDI-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Food Additive (Veterinary)
  • Herbicide
  • Mutation Data
  • Out-Dated Pesticide
  • Skin / Eye Irritant

Molecular Formula

  • C5-H6-Cl6-N2-O3

Molecular Weight

  • 354.8314
 
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Names and Synonyms

Name of Substance

  • Dichloral urea
  • Dichloralurea
  • Dicloralurea [USAN:INN]

Synonyms

  • 1,3-Bis(1-hydroxy-2,2,2-trichloroethyl)urea
  • 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea
  • 3-03-00-00116 (Beilstein Handbook Reference)
  • AI3-02193
  • BRN 1813364
  • Caswell No. 103
  • Crag DCU-73W
  • Crag experimental herbicide 2
  • Crag herbicide 2
  • DCU
  • DCU Crag Herbicide 2
  • Dichloral urea
  • Dichloralurea
  • Dichloraluree
  • Dicloralurea
  • Dicloralurea [INN-Latin]
  • Dicloraluree
  • Dicloraluree [INN-French]
  • DKhM
  • EH2
  • EINECS 204-144-7
  • EPA Pesticide Chemical Code 203100
  • Experimental herbicide 2
  • HSDB 1521
  • NSC 32207
  • RC 9485
  • Sk&F 1995
  • SKF 1995
  • UNII-9J3ZB93FIE
  • Urea, 1,3-bis(2,2,2-trichloro-1-hydroxyethyl)-
  • Urea, N,N'-bis(2,2,2-trichloro-1-hydroxyethyl)-

Systematic Names

  • Dicloralurea
  • Urea, 1,3-bis(2,2,2-trichloro-1-hydroxyethyl)-
  • Urea, N,N'-bis(2,2,2-trichloro-1-hydroxyethyl)-

Registry Numbers

CAS Registry Number

  • 116-52-9

FDA UNII

  • 9J3ZB93FIE

Other Registry Number

  • 12765-19-4

System Generated Number

  • 0000116529

Structure Descriptors

InChI

1S/C5H6Cl6N2O3/c6-4(7,8)1(14)12-3(16)13-2(15)5(9,10)11/h1-2,14-15H,(H2,12,13,16)

InChIKey

PPJXIHLNYDVTDI-UHFFFAOYSA-N

Smiles

C([C@@H](NC(N[C@@H](C(Cl)(Cl)Cl)O)=O)O)(Cl)(Cl)Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD intraperitoneal > 500mg/kg (500mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 5, Pg. 144, 1953.
mouse LD50 oral 6gm/kg (6000mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(1), Pg. 51, 1984.
rat LD50 oral 6400mg/kg (6400mg/kg) AUTONOMIC NERVOUS SYSTEM: OTHER (DIRECT) PARASYMPATHOMIMETIC

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA
Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(1), Pg. 51, 1984.
rat LD50 skin > 5gm/kg (5000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A116, Pg. 1983,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.400 (none)   EST
Water Solubility 2640 mg/L 25 EST
Vapor Pressure 1.27E-09 mm Hg 25 EST
Henry's Law Constant 3.15E-15 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.12E-12 cm3/molecule-sec 25 EST

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