2-bromo-5-(5-bromothiophen-2-yl)thiophene

• ChemBase ID: 70538
• Molecular Formular: C8H4Br2S2
• Molecular Mass: 324.05536
• Monoisotopic Mass: 321.81211613
• SMILES: c1(ccc(s1)Br)c1ccc(s1)Br
• Canonical SMILES: Brc1ccc(s1)c1ccc(s1)Br
• InChI: InChI=1S/C8H4Br2S2/c9-7-3-1-5(11-7)6-2-4-8(10)12-6/h1-4H
• InChIKey: SXNCMLQAQIGJDO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-5-(5-bromothiophen-2-yl)thiophene
• IUPAC Traditional name: 2-bromo-5-(5-bromothiophen-2-yl)thiophene
• Synonyms: 5,5'-Dibromo-2,2'-dithienyl; 5,5'-Dibromo-2,2'-dithiophene; 2,5'-Dibromobithiophene; 5,5'-Dibromo-2,2-bithiophene; 5,5'-Dibromo-2,2'-bithiophene; 5,5'-Dibromo-2,2'-bithiophene; 5,5′-Dibromo-2,2′-bithiophene; 5,5′-二溴-2,2′-联噻吩

Database IDs

• CAS Number: 4805-22-5
• MDL Number: MFCD00219110
• PubChem SID: 24873824; 162036253
• PubChem CID: 638908

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0442643
• LogD (pH = 7.4): 5.0442643
• Log P: 5.0442643
• Molar Refractivity: 58.5394 cm^3
• Polarizability: 24.45305 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 144-146 °C(lit.); 144-146°C

Safety Information

• Storage Warning: IRRITANT
• German water hazard class: 3
• TSCA Listed: false; 否
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 98%; 99%
• Empirical Formula (Hill Notation): C8H4Br2S2

DETAILS

Sigma Aldrich - 515493

Packaging
1, 5 g in glass bottle

Toronto Research Chemicals - D425025

A termination reagent for polymer ization.