cyclopentyl chloroformate

• ChemBase ID: 73958
• Molecular Formular: C6H9ClO2
• Molecular Mass: 148.58746
• Monoisotopic Mass: 148.02910721
• SMILES: O(C1CCCC1)C(=O)Cl
• Canonical SMILES: ClC(=O)OC1CCCC1
• InChI: InChI=1S/C6H9ClO2/c7-6(8)9-5-3-1-2-4-5/h5H,1-4H2
• InChIKey: ZFQCRLNKHHXELH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentyl chloroformate
• IUPAC Traditional name: cyclopentyl chloroformate
• Synonyms: Cyclopentyl carbonochloridoate; Cyclopentyl chloroformate 95+%; cyclopentyl chloridocarbonate; Cyclopentyl carbonochloridate

Database IDs

• CAS Number: 50715-28-1
• MDL Number: MFCD00144029
• PubChem SID: 162038877
• PubChem CID: 2735892

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.283977
• LogD (pH = 7.4): 2.283977
• Log P: 2.283977
• Molar Refractivity: 34.539 cm^3
• Polarizability: 13.774372 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 65°C/23mm
• Refractive Index: 1.4451
• Partition Coefficient: 2.644

Safety Information

• Storage Warning: Toxic/Keep Cold

Product Information

• Purity: 95+%