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Substance Name: Bromacil [ANSI:BSI:ISO]
RN: 314-40-9
UNII: I048FFR2J0
InChIKey: CTSLUCNDVMMDHG-UHFFFAOYSA-N

Molecular Formula

  • C9-H13-Br-N2-O2

Molecular Weight

  • 261.1177
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Herbicide
  • Herbicides
  • Mutation Data
  • Pesticides
  • Reproductive Effect

Superlist Classification Code

  • TWA 10 mg/m3; Confirmed animal carcinogen with unknown relevance to humans

Names and Synonyms

Results Name

  • Bromacil [ANSI:BSI:ISO]

Name of Substance

  • Bromacil
  • Bromacil [ANSI:BSI:ISO]

Synonyms

  • 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl)-
  • 3-sek.Butyl-5-brom-6-methyluracil
  • 3-sek.Butyl-5-brom-6-methyluracil [German]
  • 5-24-07-00040 (Beilstein Handbook Reference)
  • 5-Bromo-3-sec-butyl-6-methyluracil
  • 5-Bromo-6-methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedione
  • 5-Bromo-6-methyl-3-(1-methylpropyl)uracil
  • Borea
  • Borocil
  • BRN 0647896
  • Bromacil
  • Bromax
  • Bromazil
  • Caswell No. 111
  • CCRIS 9248
  • Cynogan
  • Du Pont herbicide 976
  • Eerex Granular Weed Killer
  • Eerex Water Soluble Concentrate Weed Killer
  • EINECS 206-245-1
  • EPA Pesticide Chemical Code 012301
  • Herbicide 976
  • Hibor
  • HSDB 1522
  • Hyvar
  • Hyvar X
  • Hyvar X bromacil
  • Hyvar X Weed Killer
  • Hyvar X-L
  • Hyvar X-WS
  • Hyvar-X Weed Killer
  • Hyvar-xl Weed Killer
  • Hyvarex
  • Istemul
  • Krovar I Weed Killer
  • Krovar II
  • Krovar II Weed Killer
  • Nalkil
  • Rout G-8
  • UNII-I048FFR2J0
  • Uracil, 5-bromo-3-sec-butyl-6-methyl-
  • Uragan
  • Uragon
  • Ureabor
  • Urox B
  • Urox B water soluble concentrate weed killer
  • Urox ha
  • Urox HX
  • Urox HX granular weed killer
  • Urox-HX

Systematic Names

  • 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl)-
  • 5-Bromo-3-sec-butyl-6-methyluracil
  • Bromacil
  • Uracil, 5-bromo-3-sec-butyl-6-methyl-

Superlist Names

  • 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl)-
  • 5-Bromo-6-methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedione
  • Bromacil

Registry Numbers

CAS Registry Number

  • 314-40-9

FDA UNII

  • I048FFR2J0

Related Registry Number

  • 69484-12-4 (hydrochloride salt)

System Generated Number

  • 0000314409

Structure Descriptors

InChI

1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)

InChIKey

CTSLUCNDVMMDHG-UHFFFAOYSA-N

Smiles

n1(c(c(c(C)[nH]c1=O)Br)=O)[C@@H](CC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD oral > 5gm/kg (5000mg/kg)   Toxicology and Applied Pharmacology. Vol. 34, Pg. 189, 1975.
mouse LD50 oral 3040mg/kg (3040mg/kg)   Journal of Environmental Science and Health, Part B: Pesticides, Food Contaminants, and Agricultural Wastes. Vol. 15, Pg. 867, 1980.
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Pesticide Manual. Vol. 9, Pg. 93, 1991.
rat LC50 inhalation > 4800mg/m3 (4800mg/m3)   Pesticide Manual. Vol. 9, Pg. 93, 1991.
rat LD50 oral 641mg/kg (641mg/kg)   Fundamental and Applied Toxicology. Vol. 7, Pg. 299, 1986.
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 158 deg C   EXP
pKa Dissociation Constant 9.3 (none) 25 EXP
log P (octanol-water) 2.11 (none)   EXP
Water Solubility 815 mg/L 25 EXP
Vapor Pressure 3.07E-07 mm Hg 25 EXP
Henry's Law Constant 1.29E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.94E-11 cm3/molecule-sec 25 EST

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