chloromethyl propyl carbonate

• ChemBase ID: 164406
• Molecular Formular: C5H9ClO3
• Molecular Mass: 152.57616
• Monoisotopic Mass: 152.02402183
• SMILES: C(OC(=O)OCCl)CC
• Canonical SMILES: CCCOC(=O)OCCl
• InChI: InChI=1S/C5H9ClO3/c1-2-3-8-5(7)9-4-6/h2-4H2,1H3
• InChIKey: WHIKAFFCTCQLQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: chloromethyl propyl carbonate
• IUPAC Traditional name: chloromethyl propyl carbonate
• Synonyms: Chloromethyl Carbonic Acid Propyl Ester; Chloromethyl Propyl Carbonate

Database IDs

• CAS Number: 35273-90-6
• MDL Number: MFCD19232313
• PubChem SID: 162258541
• PubChem CID: 22595330

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.034927
• LogD (pH = 7.4): 2.034927
• Log P: 2.034927
• Molar Refractivity: 32.9484 cm^3
• Polarizability: 13.385061 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Colerless Oil
• Hydrophobicity(logP): 1.773

Product Information

• Purity: 95%