2-chloro-2-methylpentane

• ChemBase ID: 295635
• Molecular Formular: C6H13Cl
• Molecular Mass: 120.62042
• Monoisotopic Mass: 120.0705781
• SMILES: CCCC(C)(C)Cl
• Canonical SMILES: CCCC(Cl)(C)C
• InChI: InChI=1S/C6H13Cl/c1-4-5-6(2,3)7/h4-5H2,1-3H3
• InChIKey: NXXHAWKBICGUCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-2-methylpentane
• IUPAC Traditional name: 2-chloro-2-methylpentane
• Synonyms: 2-Chloro-2-methylpentane; 2-氯-2-甲基戊烷

Database IDs

• CAS Number: 4325-48-8
• MDL Number: MFCD00060777
• PubChem SID: 180681166
• PubChem CID: 521140

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8570654
• LogD (pH = 7.4): 2.8570654
• Log P: 2.8570654
• Molar Refractivity: 34.2429 cm^3
• Polarizability: 13.595753 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 7-26-33-37-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 95%