Basic Information | Post buying leads | Suppliers |
Name |
Cyano(4-phenoxyphenyl)methyl 4-chloro alpha-(1-methylethyl benzeneacetate) |
EINECS | N/A |
CAS No. | 66827-38-1 | Density | 1.21g/cm3 |
PSA | 59.32000 | LogP | 6.67998 |
Solubility | N/A | Melting Point |
N/A |
Formula | C25H22ClNO3 | Boiling Point | 539.7°C at 760 mmHg |
Molecular Weight | 419.93 | Flash Point | 280.2°C |
Transport Information | N/A | Appearance | N/A |
Safety | Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of NOx and Cl−. | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | Moderately toxic by ingestion. | |
Synonyms |
N/A |
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
1. | orl-rat LD50:451 mg/kg | 85ARAE Agricultural Chemicals. 1 (1977),55. |
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) (CAS NO.66827-38-1) is also named as SD-43775 ; Acetic acid, 2-(p-chlorophenyl)-2-isopropyl-, cyano(p-phenoxyphenyl)methyl ester .