Crotoxyphos

Base Information

• Chemical Name: Crotoxyphos
• CAS No.: 7700-17-6
• Deprecated CAS: 57828-44-1,16825-37-9
• Molecular Formula: C14H19 O6 P
• Molecular Weight: 314.275
• Hs Code.: 29199000
• European Community (EC) Number: 231-720-5
• UNII: B05A48683J
• DSSTox Substance ID: DTXSID6037514
• Wikidata: Q27155755
• NCI Thesaurus Code: C80598
• Metabolomics Workbench ID: 143674
• ChEMBL ID: CHEMBL2104169
• Mol file: 7700-17-6.mol

Synonyms:alpha-methylbenzyl 3-(dimethoxyphosphinyloxy)-cis-crotonate;Ciodrin;crotoxyphos

Chemical Property of Crotoxyphos

Chemical Property:

• Vapor Pressure: 1.55E-05mmHg at 25°C
• Refractive Index: 1.502
• Boiling Point: 365.6 °C at 760 mmHg
• Flash Point: 188.5 °C
• PSA: 80.87000
• Density: 1.198 g/cm³
• LogP: 3.61210
• Water Solubility.: 1g/L(room temperature)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 314.09192532
• Heavy Atom Count: 21
• Complexity: 406

Purity/Quality:

98% ^*data from raw suppliers

trans-Crotoxyphos ^*data from reagent suppliers

Safty Information:

• Pictogram(s): TN
• Hazard Codes: T,N
• Statements: 24/25-50/53
• Safety Statements: 28-36/37-45-60-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Organophosphate Insecticides
• Canonical SMILES: CC(C1=CC=CC=C1)OC(=O)C=C(C)OP(=O)(OC)OC
• Isomeric SMILES: CC(C1=CC=CC=C1)OC(=O)/C=C(\C)/OP(=O)(OC)OC
• Uses: Crotoxyphos is an insecticide for external use on livestock.