10-chlorodec-3-yne

• ChemBase ID: 295711
• Molecular Formular: C10H17Cl
• Molecular Mass: 172.69498
• Monoisotopic Mass: 172.10187822
• SMILES: CCC#CCCCCCCCl
• Canonical SMILES: ClCCCCCCC#CCC
• InChI: InChI=1S/C10H17Cl/c1-2-3-4-5-6-7-8-9-10-11/h2,5-10H2,1H3
• InChIKey: BQQIODGRFRSXTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 10-chlorodec-3-yne
• IUPAC Traditional name: 10-chlorodec-3-yne
• Synonyms: 10-Chloro-3-decyne; 10-氯-3-癸炔

Database IDs

• CAS Number: 18295-64-2
• MDL Number: MFCD01321154
• PubChem SID: 180681242
• PubChem CID: 87561

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.4120326
• LogD (pH = 7.4): 4.4120326
• Log P: 4.4120326
• Molar Refractivity: 52.1533 cm^3
• Polarizability: 19.86572 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 122°C/20mm
• Flash Point: >110°C(230°F)
• Density: 0.92
• Refractive Index: 1.4620

Safety Information

• TSCA Listed: 是

Product Information

• Purity: 98%