(2H9)cyclopentane

• ChemBase ID: 134693
• Molecular Formular: C5H10
• Molecular Mass: 70.1329
• Monoisotopic Mass: 70.07825032
• SMILES: C1CCCC1
• Canonical SMILES: C1CCCC1
• InChI: InChI=1S/C5H10/c1-2-4-5-3-1/h1-5H2
• InChIKey: RGSFGYAAUTVSQA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^2H₉)cyclopentane
• IUPAC Traditional name: (^2H₉)cyclopentane
• Synonyms: Cyclopentane-d9; 环戊烷-d9

Database IDs

• CAS Number: 80862-68-6
• MDL Number: MFCD00190413
• PubChem SID: 24881206; 162228969
• PubChem CID: 16217393

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.2228434
• Log P: 2.2228434
• Molar Refractivity: 23.005 cm^3
• Polarizability: 9.23521 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.2228434

PROPERTIES

Physical Property

• Melting Point: -94 °C(lit.)
• Boiling Point: 50 °C(lit.)
• Flash Point: -34.6 °F; -37 °C
• Density: 0.846 g/mL at 25 °C
• Mass Shift: M+9

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1146
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-52/53
• Safety Statements: 9-16-29-33-61
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H412
• GHS Precautionary statements: P210-P273
• RID/ADR: UN 1146 3/PG 2

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 79.01 by atom % calculation
• Linear Formula: C5D9H

DETAILS

Sigma Aldrich - 588210

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.