Product Name

  • Name

    2-(p-Chlorophenyl)-2-isopropylacetic acid cyano(p-phenoxyphenyl)methyl ester

  • EINECS
  • CAS No. 66827-38-1
  • Density 1.21g/cm3
  • Solubility
  • Melting Point
  • Formula C25H22ClNO3
  • Boiling Point 539.7°C at 760 mmHg
  • Molecular Weight 419.93
  • Flash Point 280.2°C
  • Transport Information
  • Appearance
  • Safety Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−.
  • Risk Codes
  • Molecular Structure Molecular Structure of 66827-38-1 (2-(p-Chlorophenyl)-2-isopropylacetic acid cyano(p-phenoxyphenyl)methyl ester)
  • Hazard Symbols Moderately toxic by ingestion.
  • Synonyms
  • PSA 59.32000
  • LogP 6.67998

Cyano(4-phenoxyphenyl)methyl 4-chloro alpha-(1-methylethyl benzeneacetate) Chemical Properties

Molecule structure of Cyano(4-phenoxyphenyl)methyl 4-chloro alpha-(1-methylethyl benzeneacetate) (CAS NO.66827-38-1):

IUPAC Name: [Cyano-(4-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methylbutanoate 
Molecular Weight: 419.90008 g/mol
Molecular Formula: C25H22ClNO3 
Density: 1.21 g/cm3 
Boiling Point: 539.7 °C at 760 mmHg 
Flash Point: 280.2 °C
Index of Refraction: 1.586
Molar Refractivity: 116.44 cm3
Molar Volume: 346.7 cm3
Polarizability: 46.16×10-24 cm3
Surface Tension: 47.3 dyne/cm 
Enthalpy of Vaporization: 81.71 kJ/mol
Vapour Pressure: 1.03E-11 mmHg at 25 °C
XLogP3: 6.2
H-Bond Acceptor: 4
Rotatable Bond Count: 8
Exact Mass: 419.128821
MonoIsotopic Mass: 419.128821
Topological Polar Surface Area: 59.3
Heavy Atom Count: 30
Complexity: 578
Canonical SMILES: CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OC(C#N)C2=CC=C(C=C2)OC3=CC=CC=C3
InChI: InChI=1S/C25H22ClNO3/c1-17(2)24(19-8-12-20(26)13-9-19)25(28)30-23(16-27)18-10-14-22(15-11-18)29-21-6-4-3-5-7-21/h3-15,17,23-24H,1-2H3
InChIKey: MKLAMBQQMOQHPH-UHFFFAOYSA-N
Classification Code of Cyano(4-phenoxyphenyl)methyl 4-chloro alpha-(1-methylethyl benzeneacetate) (CAS NO.66827-38-1): Agricultural Chemical; Insecticide

Cyano(4-phenoxyphenyl)methyl 4-chloro alpha-(1-methylethyl benzeneacetate) Toxicity Data With Reference

1.    

orl-rat LD50:451 mg/kg

     85ARAE    Agricultural Chemicals. 1 (1977),55.

Cyano(4-phenoxyphenyl)methyl 4-chloro alpha-(1-methylethyl benzeneacetate) Safety Profile

Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−.

Cyano(4-phenoxyphenyl)methyl 4-chloro alpha-(1-methylethyl benzeneacetate) Specification

 Cyano(4-phenoxyphenyl)methyl 4-chloro alpha-(1-methylethyl benzeneacetate) (CAS NO.66827-38-1) is also named as SD-43775 ; Acetic acid, 2-(p-chlorophenyl)-2-isopropyl-, cyano(p-phenoxyphenyl)methyl ester .

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