424285

3-Octylthiophene

97%

• Empirical Formula (Hill Notation): C₁₂H₂₀S
• CAS Number: 65016-62-8
• Molecular Weight: 196.35
• MDL number: MFCD00085281
• UNSPSC Code: 12352100
• PubChem Substance ID: 24866561
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 97%
• form: liquid
• refractive index: n20/D 1.492 (lit.)
• bp: 106-107 °C/3 mmHg (lit.)
• density: 0.92 g/mL at 25 °C (lit.)
• SMILES string: CCCCCCCCc1ccsc1
• InChI: 1S/C12H20S/c1-2-3-4-5-6-7-8-12-9-10-13-11-12/h9-11H,2-8H2,1H3
• InChI key: WQYWXQCOYRZFAV-UHFFFAOYSA-N

Description

General description

3-Octylthiophene is an alkyl thiophene derivative. It has been synthesized by the reaction of 3-bromothiophene with octylmagnesium bromide.

Application

3-Octylthiophene may be used as a starting material in the synthesis of the following:

• 2,5-dibromo-3-octylthiophene
• poly(3-butylthiophene)-b-poly(3-octylthiophene), a diblock copoly(3-alkylthiophene)
• regioregular poly(3-octylthiophene) (POT)

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H302 + H312 + H332,H315,H319,H335
• pcodes: P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: dust mask type N95 (US), Eyeshields, Gloves