Chloropropylate

Base Information

• Chemical Name: Chloropropylate
• CAS No.: 5836-10-2
• Molecular Formula: C17H16 Cl2 O3
• Molecular Weight: 339.218
• Hs Code.: 29181990
• European Community (EC) Number: 227-421-4
• UNII: GI03ROM7HQ
• DSSTox Substance ID: DTXSID5041778
• Nikkaji Number: J3.722B
• Wikidata: Q27119854
• Metabolomics Workbench ID: 56295
• ChEMBL ID: CHEMBL1552611
• Mol file: 5836-10-2.mol

Synonyms:chloropropylate

Chemical Property of Chloropropylate

Chemical Property:

• Vapor Pressure: 3.6E-09mmHg at 25°C
• Melting Point: 73oC
• Boiling Point: 457.7°Cat760mmHg
• PKA: 11.18±0.29(Predicted)
• Flash Point: 230.6°C
• PSA: 46.53000
• Density: 1.299g/cm³
• LogP: 4.18090
• Water Solubility.: 10mg/L(room temperature)
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 338.0476498
• Heavy Atom Count: 22
• Complexity: 348

Purity/Quality:

98%Min ^*data from raw suppliers

Chloropropylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Pesticides -> Organochlorine Pesticides
• Canonical SMILES: CC(C)OC(=O)C(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)O
• Uses: Chloropropylate is a dichlorobenzylic acid derivative and a related compound of DDT. Chloropropylate is an aracicide used for mite control.