2-cyclopentylacetyl chloride

• ChemBase ID: 302397
• Molecular Formular: C7H11ClO
• Molecular Mass: 146.61464
• Monoisotopic Mass: 146.04984265
• SMILES: C1CCC(C1)CC(=O)Cl
• Canonical SMILES: ClC(=O)CC1CCCC1
• InChI: InChI=1S/C7H11ClO/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2
• InChIKey: NILLIUYSJFTTRH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentylacetyl chloride
• IUPAC Traditional name: 2-cyclopentylacetyl chloride
• Synonyms: Cyclopentaneacetyl chloride; Cyclopentylacetyl chloride; 环戊基乙酰氯

Database IDs

• CAS Number: 1122-99-2
• MDL Number: MFCD00236031
• Beilstein Number: 1906113

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.1675189
• LogD (pH = 7.4): 2.1675189
• Log P: 2.1675189
• Molar Refractivity: 37.6785 cm^3
• Polarizability: 14.844665 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 186°C
• Flash Point: 71°C(160°F)
• Density: 1.087
• Refractive Index: 1.4625

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Corrosive (C)
• UN Number: UN3265
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318-H227
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 97%