methylidenecyclopropane

• ChemBase ID: 139255
• Molecular Formular: C4H6
• Molecular Mass: 54.09044
• Monoisotopic Mass: 54.04695019
• SMILES: C=C1CC1
• Canonical SMILES: C=C1CC1
• InChI: InChI=1S/C4H6/c1-4-2-3-4/h1-3H2
• InChIKey: XSGHLZBESSREDT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methylidenecyclopropane
• IUPAC Traditional name: methylenecyclopropene
• Synonyms: Methylenecyclopropane; 亚甲基环丙烷

Database IDs

• CAS Number: 6142-73-0
• EC Number: 228-142-0
• MDL Number: MFCD00042620
• Beilstein Number: 741861
• PubChem SID: 24884931; 162233503
• PubChem CID: 80245

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2730793
• LogD (pH = 7.4): 1.2730793
• Log P: 1.2730793
• Molar Refractivity: 18.1291 cm^3
• Polarizability: 7.1599445 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 9-12 °C
• Flash Point: <-14 °C; <6.8 °F
• Density: 0.80 g/mL at 20 °C(lit.)

Safety Information

• European Hazard Symbols: Highly flammable (F+); Harmful (Xn)
• UN Number: 2037
• German water hazard class: 3
• Hazard Class: 2.1
• Risk Statements: 12-22
• GHS Pictograms: GHS02; GHS04; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H280-H302
• GHS Precautionary statements: P210-P410 + P403
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 2037 2.1
• Storage Temperature: -20°C

Product Information

• Purity: ≥95.0% (HPLC)
• Empirical Formula (Hill Notation): C4H6

DETAILS

Sigma Aldrich - 66765

Other Notes
Sales restrictions may apply