Product Name

  • Name

    Terbacil

  • EINECS 227-595-1
  • CAS No. 5902-51-2
  • Article Data5
  • CAS DataBase
  • Density 1.34 g/cm3 (25oC)
  • Solubility 0.71g/L(25 oC)
  • Melting Point 175-177oC
  • Formula C9H13 Cl N2 O2
  • Boiling Point 386oC
  • Molecular Weight 216.667
  • Flash Point
  • Transport Information
  • Appearance Colorless crystals.
  • Safety Mildly toxic by ingestion and possibly other routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
  • Risk Codes R22   
  • Molecular Structure Molecular Structure of 5902-51-2 (Terbacil)
  • Hazard Symbols
  • Synonyms Uracil,3-tert-butyl-5-chloro-6-methyl- (7CI,8CI);3-tert-Butyl-5-chloro-6-methyluracil; 5-Chloro-3-tert-butyl-6-methyluracil; DuPont 732; Experimental Herbicide 732; Geonter; Sinbar; Terbacil; Terbacil 80WP
  • PSA 54.86000
  • LogP 1.25340

Synthetic route

3-tert-butyl-6-methyluracil
6589-37-3

3-tert-butyl-6-methyluracil

terbacil
5902-51-2

terbacil

Conditions
ConditionsYield
With chlorine In water at 80℃; for 3h; Reagent/catalyst; Solvent; Temperature;90%
With sodium hydroxide; chlorine In water at 15℃; for 0.62h; Product distribution; various temp., NaOH conc.;86%
With sodium hydroxide; chlorine 1.) water, room temp.; 2.) water, 15 deg C; Yield given. Multistep reaction;
terbacil
5902-51-2

terbacil

sodium salt of 3-tert-butyl-5-chloro-6-methyluracil
109434-20-0

sodium salt of 3-tert-butyl-5-chloro-6-methyluracil

Conditions
ConditionsYield
With sodium methylate In methanol for 1h;100%
terbacil
5902-51-2

terbacil

1-(2,2-dichlorovinyl)-3-tert-butyl-5-chloro-6-methyluracil
111396-48-6

1-(2,2-dichlorovinyl)-3-tert-butyl-5-chloro-6-methyluracil

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 100 percent / sodium methoxide / methanol / 1 h
2: 16 percent / dimethylformamide / 1 h / 90 °C
View Scheme

Terbacil Chemical Properties

Molecule structure of 3-tert-Butyl-5-chloro-6-methyluracil (CAS NO.5902-51-2) :

IUPAC Name: 3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione 
Molecular Weight: 216.66472 g/mol
Molecular Formula: C9H13ClN2O2 
Density: 1.25 g/cm3 
Melting Point: 176 deg C 
Appreance: colorless crystals
Molar Volume: 172.4 cm3
Polarizability: 21.29*10-24 cm3
Surface Tension: 42.8 dyne/cm 
pKa Dissociation Constant: 9
log P (octanol-water): 1.89
Water Solubility: 710 mg/L
Vapor Pressure: 4.70E-07 mm Hg
Henry's Law Constant: 1.20E-10 atm-m3/mole 
Atmospheric OH Rate Constant: 7.49E-12 cm3/molecule-sec
XLogP3: 1.9
H-Bond Donor: 1
H-Bond Acceptor: 2
Rotatable Bond Count: 1
Tautomer Count: 3
Exact Mass: 216.066555
MonoIsotopic Mass: 216.066555
Topological Polar Surface Area: 49.4
Heavy Atom Count: 14
Complexity: 328
Canonical SMILES: CC1=C(C(=O)N(C(=O)N1)C(C)(C)C)Cl
InChI: InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)
InChIKey: NBQCNZYJJMBDKY-UHFFFAOYSA-N
EINECS: 227-595-1
Product Categories: Herbicide 
Storage temp.: 0-6 °C
Merck: 13,9230

Terbacil Uses

 3-tert-Butyl-5-chloro-6-methyluracil (CAS NO.5902-51-2) is used as an herbicide.

Terbacil Toxicity Data With Reference

1.    

orl-rat LD50:7500 mg/kg

     FMCHA2    Farm Chemicals Handbook .(Meister Publishing, 37841 Euclid Ave.,Willoughy, OH.:  44094)1980,D302.
2.    

unk-mam LD50:5000 mg/kg

     30ZDA9    Chemistry of Pesticides .Melnikov, N.N.,New York, NY.: Springer-Verlag,1971,421.

Terbacil Safety Profile

Mildly toxic by ingestion and possibly other routes. When heated to decomposition it emits very toxic fumes of Cl− and NOx.

Terbacil Specification

 3-tert-Butyl-5-chloro-6-methyluracil (CAS NO.5902-51-2) is also called 2,4(1H,3H)-Pyrimidinedione, 5-chloro-3-(1,1-dimethylethyl)-6-methyl- ; 3-t-Butyl-5-chloro-6-methyluracil ; 3-tert.Butyl-5-chlor-6-methyluracil [German] ; 5-Chloro-3-(1,1-dimethylethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione ; 5-Chloro-3-tert-butyl-6-methyluracil ; EPA Pesticide Chemical Code 012701 ; Experimental herbicide 732 ; Geonter ; HSDB 1418 ; Sinbar ; Terbacil ; Turbacil . 3-tert-Butyl-5-chloro-6-methyluracil (CAS NO.5902-51-2) is non corrosive and water soluble. 3-tert-Butyl-5-chloro-6-methyluracil (CAS NO.5902-51-2) is moderate toxic. It will produce toxic chloride and nitrogen oxide gas when buring. So the storage environment should be ventilate, low-temperature and dry.

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View