1-(Chloroacetyl)azepane

Base Information

• Chemical Name: 1-(Chloroacetyl)azepane
• CAS No.: 52227-33-5
• Molecular Formula: C8H14ClNO
• Molecular Weight: 175.658
• Hs Code.: 2933990090
• European Community (EC) Number: 837-549-8
• DSSTox Substance ID: DTXSID70389773
• Wikidata: Q82185910
• Mol file: 52227-33-5.mol

Synonyms:1-(Chloroacetyl)azepane;52227-33-5;1-(azepan-1-yl)-2-chloroethanone;1-Azepan-1-yl-2-chloro-ethanone;1-(azepan-1-yl)-2-chloroethan-1-one;SCHEMBL227972;1-Azepan-1-yl-2-chloroethanone;DTXSID70389773;1-(2-chloroacetyl)perhydroazepine;OUYNYRUBFQVLEE-UHFFFAOYSA-N;BBL029014;MFCD00791327;STL371951;AKOS000267180;VS-09076;BB 0217800;CS-0072018;EN300-01740;AT-057/40257590;Z56862394;F9995-0397

Chemical Property of 1-(Chloroacetyl)azepane

Chemical Property:

• Vapor Pressure: 0.00243mmHg at 25°C
• Refractive Index: 1.485
• Boiling Point: 287.8 °C at 760 mmHg
• PKA: -0.95±0.20(Predicted)
• Flash Point: 127.9 °C
• PSA: 20.31000
• Density: 1.112 g/cm³
• LogP: 1.56570
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 175.0763918
• Heavy Atom Count: 11
• Complexity: 130

Purity/Quality:

NLT 98% ^*data from raw suppliers

1-(Chloroacetyl)azepane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCCN(CC1)C(=O)CCl