11-chloroundec-1-ene

• ChemBase ID: 77289
• Molecular Formular: C11H21Cl
• Molecular Mass: 188.73744
• Monoisotopic Mass: 188.13317835
• SMILES: ClCCCCCCCCCC=C
• Canonical SMILES: ClCCCCCCCCCC=C
• InChI: InChI=1S/C11H21Cl/c1-2-3-4-5-6-7-8-9-10-11-12/h2H,1,3-11H2
• InChIKey: PSEVKFKRYVAODC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 11-chloroundec-1-ene
• IUPAC Traditional name: 11-chloroundec-1-ene
• Synonyms: Undec-10-enyl chloride; 11-Chloroundec-1-ene; 11-Chloro-1-undecene; 11-氯-1-十一碳烯

Database IDs

• CAS Number: 872-17-3
• MDL Number: MFCD00671354
• PubChem SID: 162042162; 24881331
• PubChem CID: 543805

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.9679065
• LogD (pH = 7.4): 4.9679065
• Log P: 4.9679065
• Molar Refractivity: 57.437 cm^3
• Polarizability: 22.57413 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 108-109 °C/6 mmHg(lit.); 108-109°C/6mm
• Flash Point: 104 °C; 104°C; 219.2 °F
• Density: 0.995; 0.995 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4510(lit.)

Safety Information

• Storage Warning: Irritant
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: Cl(CH2)9CH=CH2

DETAILS

Sigma Aldrich - 593117

Packaging
25 mL in glass bottle