non-4-yne

• ChemBase ID: 110304
• Molecular Formular: C9H16
• Molecular Mass: 124.22334
• Monoisotopic Mass: 124.12520051
• SMILES: CCCCC#CCCC
• Canonical SMILES: CCCCC#CCCC
• InChI: InChI=1S/C9H16/c1-3-5-7-9-8-6-4-2/h3-7H2,1-2H3
• InChIKey: RAYTXPDVKZFUEI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: non-4-yne
• IUPAC Traditional name: 4-nonyne
• Synonyms: 4-NONYNE; 4-Nonyne; 4-壬炔

Database IDs

• CAS Number: 20184-91-2
• MDL Number: MFCD00041650
• PubChem SID: 162096398
• PubChem CID: 140650

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.0495505
• LogD (pH = 7.4): 4.0495505
• Log P: 4.0495505
• Molar Refractivity: 42.5726 cm^3
• Polarizability: 16.258823 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 158°C
• Flash Point: 35°C(95°F)
• Density: 0.760
• Refractive Index: 1.4325

Safety Information

• European Hazard Symbols: X
• UN Number: UN3295
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-65
• Safety Statements: 62
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS08
• GHS Hazard statements: H304-H226
• GHS Precautionary statements: P210-P241-P301+P310-P303+P361+P353-P405-P501A

Product Information

• Purity: 96%

DETAILS

MP Biomedicals - 05214500

MP Biomedicals Rare Chemical collection