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Substance Name: Halacrinate [ISO]
RN: 34462-96-9
UNII: 2PC0JJ594N
InChIKey: YDNLKBDXQCHOTH-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Fungicide, Bactericide, Wood Preservative

Molecular Formula

  • C12-H7-Br-Cl-N-O2

Molecular Weight

  • 312.5493
 
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Names and Synonyms

Results Name

  • Halacrinate [ISO]

Name of Substance

  • Halacrinate [ISO]

Synonyms

  • 7-Bromo-5-chloroquinolin-8-yl acrylate
  • 8-Acryloyloxy-7-bromo-5-chloroquinoline
  • BRN 1470063
  • CGA 30599
  • EINECS 252-049-4
  • Halacrinate
  • UNII-2PC0JJ594N

Systematic Names

  • 2-Propenoic acid, 7-bromo-5-chloro-8-quinolinyl ester
  • 5-Chloro-7-bromo-8-quinolyl vinyl carbonate

Registry Numbers

CAS Registry Number

  • 34462-96-9

FDA UNII

  • 2PC0JJ594N

System Generated Number

  • 0034462969

Structure Descriptors

InChI

1S/C12H7BrClNO2/c1-2-10(16)17-12-8(13)6-9(14)7-4-3-5-15-11(7)12/h2-6H,1H2

InChIKey

YDNLKBDXQCHOTH-UHFFFAOYSA-N

Smiles

C=CC(=O)Oc1c(cc(c2c1nccc2)Cl)Br

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 oral > 10gm/kg (10000mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A224, Pg. 1984,
rat LD50 skin > 3170mg/kg (3170mg/kg)   "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc of Chemistry, 1983-86Vol. A224, Pg. 1984,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 100.5 deg C   EXP
log P (octanol-water) 3.630 (none)   EST
Water Solubility 6 mg/L 20 EXP
Atmospheric OH Rate Constant 1.16E-11 cm3/molecule-sec 25 EST

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