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Substance Name: Simazine [ANSI:BSI:ISO]
RN: 122-34-9
UNII: SG0C34SMY3
InChIKey: ODCWYMIRDDJXKW-UHFFFAOYSA-N

Note

  • A triazine herbicide.

Molecular Formula

  • C7-H12-Cl-N5

Molecular Weight

  • 201.66
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Herbicide
  • Herbicides
  • Mutation Data
  • Pesticides
  • Reproductive Effect
  • Skin / Eye Irritant
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3

Names and Synonyms

Results Name

  • Simazine [ANSI:BSI:ISO]

Name of Substance

  • Simazine
  • Simazine [ANSI:BSI:ISO]

MeSH Heading

  • Simazine

Synonyms

  • 1-Chloro-3,5-bis(ethylamino)-2,4,6-triazine
  • 2,4-Bis(aethylamino)-6-chlor-1,3,5-triazin
  • 2,4-Bis(aethylamino)-6-chlor-1,3,5-triazin [German]
  • 2,4-Bis(ethylamino)-6-chloro-s-triazine
  • 2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine
  • 2-Chloro-4,6-bis(ethylamino)-s-triazine
  • 4-26-00-01208 (Beilstein Handbook Reference)
  • 6-Chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine
  • 6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine
  • A 2079
  • AI3-51142
  • Aktinit S
  • Amizine
  • Aquazine
  • Azotop
  • Batazina
  • Batazine FLO
  • Bitemol
  • Bitemol S 50
  • BRN 0010895
  • Caswell No. 740
  • CAT
  • CAT (herbicide)
  • CCRIS 1469
  • CDT
  • Cekusan
  • Cekusima
  • Cekuzina-S
  • CET
  • EINECS 204-535-2
  • EPA Pesticide Chemical Code 080807
  • G 27692
  • G-27692
  • Geigy 27,692
  • Gesapun
  • Gesaran
  • Gesatop
  • Gesatop 50
  • H 1803
  • Herbatoxol S
  • Herbazin
  • Herbazin 50
  • Herbazin-50
  • Herbex
  • Herbex (pesticide)
  • Herboxy
  • HSDB 1765
  • Hungazin DT
  • NSC 25999
  • Premazine
  • Primatel S
  • Primatol S
  • Princep
  • Printop
  • Radocon
  • Radokor
  • Simadex
  • Simanex
  • Simatsin-neste
  • Simazin
  • Simazine
  • Simazine 80W
  • Symazine
  • Tafazine
  • Tafazine (VAN)
  • Tafazine 50-W
  • Taphazine
  • Triazine A 384
  • UNII-SG0C34SMY3
  • W 6658
  • Yrodazin
  • Zeapur

Systematic Names

  • 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-
  • 1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-
  • s-Triazine, 2-chloro-4,6-bis(ethylamino)-
  • Simazine

Superlist Names

  • s-Triazine, 2-chloro-4,6-bis(ethylamino)-
  • Simazine

Registry Numbers

CAS Registry Number

  • 122-34-9

FDA UNII

  • SG0C34SMY3

Other Registry Numbers

  • 11141-20-1
  • 119603-94-0
  • 12764-71-5
  • 39291-64-0

System Generated Number

  • 0000122349

Structure Descriptors

InChI

1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)

InChIKey

ODCWYMIRDDJXKW-UHFFFAOYSA-N

Smiles

c1(nc(nc(n1)Cl)NCC)NCC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral > 5gm/kg (5000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A369, Pg. 1984,
mammal (species unspecified) LD50 oral 2014mg/kg (2014mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)

SKIN AND APPENDAGES (SKIN): HAIR: OTHER
National Technical Information Service. Vol. PB288-416,
mammal (species unspecified) LD50 unreported 1400mg/kg (1400mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 44(6), Pg. 81, 1979.
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04003,
mouse LDLo oral 5gm/kg (5000mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

BEHAVIORAL: MUSCLE WEAKNESS

KIDNEY, URETER, AND BLADDER: URINE VOLUME INCREASED
Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 27(8), Pg. 22, 1962.
pigeon LD50 oral > 5gm/kg (5000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A369, Pg. 1984,
rabbit LD50 oral > 5gm/kg (5000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A369, Pg. 1984,
rabbit LD50 skin > 10200mg/kg (10200mg/kg)   Yakkyoku. Pharmacy. Vol. 37, Pg. 427, 1986.
rat LC50 inhalation 9800mg/m3/4H (9800mg/m3)   Farm Chemicals Handbook. Vol. -, Pg. C275, 1991.
rat LD50 oral 971mg/kg (971mg/kg)   Fundamental and Applied Toxicology. Vol. 7, Pg. 299, 1986.
rat LD50 skin > 5gm/kg (5000mg/kg)   Nippon Noyaku Gakkaishi. Journal of the Pesticide Science Society of Japan. Vol. 15, Pg. 315, 1990.
rat LD50 unreported 1390mg/kg (1390mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 7(5), Pg. 54, 1963.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 226 deg C   EXP
pKa Dissociation Constant 1.62 (none) 20 EXP
log P (octanol-water) 2.18 (none)   EXP
Water Solubility 6.2 mg/L 22 EXP
Vapor Pressure 2.21E-08 mm Hg 25 EXP
Henry's Law Constant 9.42E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.10E-11 cm3/molecule-sec 25 EXP

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