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Substance Name: Chlorothalonil [ANSI:BSI:ISO]
RN: 1897-45-6
UNII: J718M71A7A
InChIKey: CRQQGFGUEAVUIL-UHFFFAOYSA-N

Molecular Formula

  • C8-Cl4-N2

Molecular Weight

  • 265.914
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative
  • Fungicides, Industrial
  • Insecticide
  • Molluscacides
  • Mutation Data
  • Pesticides
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Results Name

  • Chlorothalonil [ANSI:BSI:ISO]

Name of Substance

  • Chlorothalonil
  • Chlorothalonil [ANSI:BSI:ISO]
  • Tetrachloroisophthalonitrile

Synonyms

  • 1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-
  • 1,3-Dicyanotetrachlorobenzene
  • 2,4,5,6-Tetrachloro-1,3-benzenedicarbonitrile (8CI)(9CI)
  • 2,4,5,6-Tetrachloro-3-cyanobenzonitrile
  • 2,4,5,6-Tetrachloroisophthalonitrile
  • AI3-28721
  • Bravo
  • Bravo 500
  • Bravo 6F
  • Bravo-W-75
  • BRN 1978326
  • Caswell No. 215B
  • CCRIS 150
  • Chloroalonil
  • Chlorothalonil
  • Chlorthalonil
  • Chlorthalonil [German]
  • Clorthalonil
  • Clorthalonil [German]
  • Clortocaf ramato
  • Clortosip
  • DAC 2787
  • Daconil
  • Daconil 2787
  • Daconil 2787 flowable fungicide
  • Daconil 2787 W-75 Fungicide
  • Daconil 2787 W75
  • Daconil Flowable
  • Daconil M
  • Dacosoil
  • EINECS 217-588-1
  • EPA Pesticide Chemical Code 081901
  • Exotherm
  • Exotherm termil
  • Faber
  • Forturf
  • HSDB 1546
  • Isophthalonitrile, 2,4,5,6-tetrachloro-
  • m-TCPN
  • m-Tetrachlorophthalonitrile
  • meta-TCPN
  • meta-Tetrachlorophthalodinitrile
  • NCI-C00102
  • Nopcocide
  • Nopcocide N-96
  • Nopcocide N40D & N96
  • Repulse
  • Sweep
  • Termil
  • Terraclactyl
  • Tetrachlorisoftalonitril
  • Tetrachlorisoftalonitril [Czech]
  • Tetrachloroisophthalonitrile
  • TPN (pesticide)
  • UNII-J718M71A7A

Systematic Names

  • 1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-
  • Chlorothalonil
  • Isophthalonitrile, tetrachloro-

Superlist Names

  • 1,3-Benzenedicarbonitrile, 2,4,5,6-tetrachloro-
  • 2,4,5,6-Tetrachloroisophthalonitrile
  • Chlorothalonil

Registry Numbers

CAS Registry Number

  • 1897-45-6

FDA UNII

  • J718M71A7A

Other Registry Numbers

  • 101963-73-9
  • 216082-57-4
  • 342632-51-3
  • 37223-69-1
  • 462093-27-2

System Generated Number

  • 0001897456

Structure Descriptors

InChI

InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14

InChIKey

CRQQGFGUEAVUIL-UHFFFAOYSA-N

Smiles

Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 5gm/kg (5000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A090, Pg. 1984,
mouse LD50 intraperitoneal 2500ug/kg (2.5mg/kg) BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)		 Industrial Health. Vol. 4, Pg. 11, 1966.
mouse LD50 oral 3700mg/kg (3700mg/kg)   Hokkaidoritsu Eisei Kenkyushoho. Report of the Hokkaido Institute of Public Health. Vol. 30, Pg. 53, 1980.
rabbit LD50 skin > 10gm/kg (10000mg/kg)   Pesticide Manual. Vol. 9, Pg. 159, 1991.
rat LC50 inhalation 310mg/m3/1H (310mg/m3)   Farm Chemicals Handbook. Vol. -, Pg. C72, 1991.
rat LD50 oral 10gm/kg (10000mg/kg)   "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revisionVol. 4, Pg. 75, 1976/1977.
rat LD50 skin > 2500mg/kg (2500mg/kg)   Fundamental and Applied Toxicology. Vol. 7, Pg. 299, 1986.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 250 deg C   EXP
Boiling Point 350 deg C   EXP
log P (octanol-water) 3.05 (none)   EXP
Water Solubility 0.6 mg/L 25 EXP
Vapor Pressure 5.70E-07 mm Hg 25 EXP
Henry's Law Constant 2.00E-06 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 6.18E-15 cm3/molecule-sec 25 EST

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