1,1,2,2-tetramethylcyclopropane

• ChemBase ID: 295644
• Molecular Formular: C7H14
• Molecular Mass: 98.18606
• Monoisotopic Mass: 98.10955045
• SMILES: CC1(CC1(C)C)C
• Canonical SMILES: CC1(C)CC1(C)C
• InChI: InChI=1S/C7H14/c1-6(2)5-7(6,3)4/h5H2,1-4H3
• InChIKey: JCHUCGKEGUAHEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetramethylcyclopropane
• IUPAC Traditional name: 1,1,2,2-tetramethylcyclopropane
• Synonyms: 1,1,2,2-Tetramethylcyclopropane; 1,1,2,2-四甲氧基环丙烷

Database IDs

• CAS Number: 4127-47-3
• EC Number: 223-937-9
• MDL Number: MFCD00060790
• PubChem SID: 180681175
• PubChem CID: 77778

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.5078385
• LogD (pH = 7.4): 2.5078385
• Log P: 2.5078385
• Molar Refractivity: 31.8504 cm^3
• Polarizability: 12.929294 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 76°C
• Density: 0.72

Safety Information

• European Hazard Symbols: Flammable (F); X
• UN Number: UN3295
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-65
• Safety Statements: 9-16-29-33-62
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS08
• GHS Hazard statements: H224-H304
• GHS Precautionary statements: P210-P241-P301+P310-P303+P361+P353-P405-P501A

Product Information

• Purity: 99%