(1E)-ethylidenecyclopentane

• ChemBase ID: 107852
• Molecular Formular: C7H12
• Molecular Mass: 96.17018
• Monoisotopic Mass: 96.09390038
• SMILES: CC=C1CCCC1
• Canonical SMILES: CC=C1CCCC1
• InChI: InChI=1S/C7H12/c1-2-7-5-3-4-6-7/h2H,3-6H2,1H3
• InChIKey: VONKRKBGTZDZNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1E)-ethylidenecyclopentane; ethylidenecyclopentane
• IUPAC Traditional name: (1E)-ethylidenecyclopentane; cyclopentane, ethylidene-
• Synonyms: Ethylidenecyclopentane; ETHYLIDENECYCLOPENTANE; 亚乙基环戊烷

Database IDs

• CAS Number: 2146-37-4
• EC Number: 218-413-1
• MDL Number: MFCD00019319
• PubChem SID: 162093541
• PubChem CID: 75068

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5488515
• LogD (pH = 7.4): 2.5488515
• Log P: 2.5488515
• Molar Refractivity: 33.0046 cm^3
• Polarizability: 12.70021 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -130°C
• Boiling Point: 112-114°C
• Density: 0.80
• Refractive Index: 1.4500

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: UN3295
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02
• GHS Hazard statements: H224
• GHS Precautionary statements: P210-P241-P280-P303+P361+P353-P403+P235-P501A

Product Information

• Purity: 90+%

DETAILS

MP Biomedicals - 05205215

MP Biomedicals Rare Chemical collection