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Substance Name: 2,4-D chlorocrotyl ester
RN: 2971-38-2
UNII: X078IAE32N
InChIKey: NEVMZYLKPFGDJB-OWOJBTEDSA-N

Molecular Formula

  • C12-H11-Cl3-O3

Molecular Weight

  • 309.575
 

Classification Codes

Classification Codes

  • Agricultural Chemical
  • Herbicide

Superlist Classification Code

  • Reportable Quantity (RQ) = 100 lb
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Names and Synonyms

Name of Substance

  • 2,4-D chlorocrotyl ester

Synonyms

  • 2,4-D chlorocrotyl ester
  • 2,4-D esters
  • 2,4-D, alpha-Chlorocrotyl ester
  • 2,4-Dichlorophenoxyacetic acid, 4-chlorocrotonyl ester
  • Acetic acid, (2,4-dichlorophenoxy)-, 4-chloro-2-butenyl ester
  • Chlorocrotyl ester of 2,4-D
  • Crotilin
  • Crotiline
  • Crotylin
  • HSDB 2813
  • Krotilin
  • Krotiline
  • UNII-X078IAE32N

Systematic Names

  • Acetic acid, (2,4-dichlorophenoxy)-, 4-chloro-2-butenyl ester
  • Acetic acid, 2,4-dichlorophenoxy-, 4-chloro-2-butenyl ester

Superlist Names

  • 2,4-D chlorocrotyl ester
  • Acetic acid, (2,4-dichlorophenoxy)-, 4-chloro-2-butenyl ester

Registry Numbers

CAS Registry Number

  • 2971-38-2

FDA UNII

  • X078IAE32N

System Generated Number

  • 0002971382

Structure Descriptors

InChI

1S/C12H11Cl3O3/c13-5-1-2-6-17-12(16)8-18-11-4-3-9(14)7-10(11)15/h1-4,7H,5-6,8H2/b2-1+

InChIKey

NEVMZYLKPFGDJB-OWOJBTEDSA-N

Smiles

c1(c(cc(Cl)cc1)Cl)OCC(OC\C=C\CCl)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LDLo unreported 1gm/kg (1000mg/kg)   "Pesticide Index," Frear, E.H., ed., State College, PA, College Science Pub., 1969Vol. 4, Pg. 131, 1969.
mouse LC50 inhalation 2190mg/m3/2H (2190mg/m3)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 35, 1982.
mouse LD50 oral 489mg/kg (489mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 35, 1982.
rabbit LD50 oral 784mg/kg (784mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 35, 1982.
rat LD50 oral 547mg/kg (547mg/kg)   "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 35, 1982.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.420 (none)   EST
Water Solubility 1.830 mg/L 25 EST
Vapor Pressure 6.50E-06 mm Hg 25 EST
Henry's Law Constant 2.14E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 5.10E-11 cm3/molecule-sec 25 EST

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