2,5-dibromo-3-decylthiophene

• ChemBase ID: 150837
• Molecular Formular: C14H22Br2S
• Molecular Mass: 382.19748
• Monoisotopic Mass: 379.9808957
• SMILES: CCCCCCCCCCc1cc(sc1Br)Br
• Canonical SMILES: CCCCCCCCCCc1cc(sc1Br)Br
• InChI: InChI=1S/C14H22Br2S/c1-2-3-4-5-6-7-8-9-10-12-11-13(15)17-14(12)16/h11H,2-10H2,1H3
• InChIKey: CQDSRZZKSUNTSB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-dibromo-3-decylthiophene
• IUPAC Traditional name: 2,5-dibromo-3-decylthiophene
• Synonyms: 2,5-Dibromo-3-decylthiophene; 2,5-二溴-3-癸基噻吩

Database IDs

• CAS Number: 158956-23-1
• MDL Number: MFCD00274314
• PubChem SID: 162244997; 24869171
• PubChem CID: 4218617

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 8.137724
• LogD (pH = 7.4): 8.137724
• Log P: 8.137724
• Molar Refractivity: 83.1794 cm^3
• Polarizability: 32.98904 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 168-170 °C/2 mmHg(lit.)
• Flash Point: 113 °C; 235 °F
• Density: 1.372 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.538(lit.)

Safety Information

• German water hazard class: 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C14H22Br2S

DETAILS

Sigma Aldrich - 456381

Application
Conducting polymer precursor.1
Packaging
1, 5 g in glass bottle