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Substance Name: Dimethomorph [ISO]
RN: 110488-70-5
UNII: 3EXL2158GV
InChIKey: QNBTYORWCCMPQP-JXAWBTAJSA-N

Classification Codes

  • Agricultural Chemical
  • Anti-Infective Agents
  • Antifungal Agents
  • Fungicide
  • Fungicide, Bactericide, Wood Preservative

Molecular Formula

  • C21-H22-Cl-N-O4

Molecular Weight

  • 387.861
 
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Names and Synonyms

Results Name

  • Dimethomorph [ISO]

Name of Substance

  • Dimethomorph

Synonyms

  • 4-(3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)morpholine
  • CME 151
  • Dimethomorph
  • EC 404-200-2
  • EINECS Annex I Index 613-102-00-0
  • HSDB 6915
  • UNII-3EXL2158GV

Systematic Names

  • 4-(3-(4-Chlorophenyl)-3-(3,4-dimethoxyphenyl)acryloyl)morpholine
  • Morpholine, 3-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-
  • Morpholine, 4-(3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-oxo-2-propenyl)-

Registry Numbers

CAS Registry Number

  • 110488-70-5

FDA UNII

  • 3EXL2158GV

System Generated Number

  • 0110488705

Structure Descriptors

InChI

1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14-

InChIKey

QNBTYORWCCMPQP-JXAWBTAJSA-N

Smiles

c1cc(Cl)ccc1\C(c1cc(OC)c(OC)cc1)=C\C(=O)N1CCOCC1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
duck LD50 oral > 2gm/kg (2000mg/kg)   Pesticide Manual. Vol. 9, Pg. 296, 1991.
mammal (species unspecified) LC50 inhalation > 4200mg/m3 (4200mg/m3)   Pesticide Manual. Vol. 9, Pg. 296, 1991.
mouse LD50 oral > 5gm/kg (5000mg/kg)   Pesticide Manual. Vol. 9, Pg. 296, 1991.
rat LD50 oral 3900mg/kg (3900mg/kg)   Pesticide Manual. Vol. 9, Pg. 296, 1991.
rat LD50 skin > 2gm/kg (2000mg/kg)   Pesticide Manual. Vol. 9, Pg. 296, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 148 deg C   EXP
log P (octanol-water) 2.68 (none)   EXP
Water Solubility 18.7 mg/L 25 EST
Vapor Pressure 7.38E-09 mm Hg 25 EXP
Henry's Law Constant 2.01E-10 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.07E-10 cm3/molecule-sec 25 EST

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