5-Bromo-[2,2']bithiophenyl
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Basic information
- CAS
3480-11-3- Standard SMILES
Brc1ccc(-c2cccs2)s1- InChIKey
OMOAIGVIYUXYAU-UHFFFAOYSA-N- Molecular formula
- C8H5BrS2
- Average molar mass
- 245.2 g/mol
- Monoisotopic mass
- 243.90161
Names & identifiers
- Preferred name
- 5-Bromo-[2,2']bithiophenyl
- IUPAC
- 2-bromo-5-thiophen-2-ylthiophene
- English name
- 5-BROMO-2 2'-BITHIOPHENE 96
- Molecular formula
- C8H5BrS2
- Molecular weight
- 245.16
Names & synonyms
5-Bromo-[2,2']bithiophenyl5-Bromo-(2,2')bithiophenylRefChem:532639871-109-65-bromo-2,2'-bithiophene3480-11-32-bromo-5-thiophen-2-ylthiophene2-BromodithiopheneMFCD014619475-Bromo-2,2 inverted exclamation marka-bithiophene2,2'-bithiophene, 5-bromo-C8H5BrS2
Show more names
2T-Br5-Bromo-alpha-dithienyl5-BroMo-2,2'-bithiophene 96%5-BROMO-2 2'-BITHIOPHENE 965-Bromo-2,2'-bithiophene USP/EP/BP5-Bromo-2,2′-bithiophene, CAS 3480-11-3
5-bromo-2,2'-bithienylSCHEMBL196515SCHEMBL55415062-bromo-5-(2-thienyl)thiophene5-bromo-2-(2-thienyl)thiopheneDTXSID00348691OMOAIGVIYUXYAU-UHFFFAOYSA-N5-Bromo-2,2'-bithiophene, 96%
Database identifiers
- CAS
3480-11-3- PubChem CID
- 640065
- DTXSID
DTXSID00348691- EC Number
- 871-109-6
- Nikkaji
- J1.013.246K
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Physicochemical properties
- Melting point
- 29 · 29-32 °C(lit.)
- Boiling point
- 50 °C · 50 °C(Press: 0.006 Torr)
- Density
- 1.635 · 1.635±0.06 g/cm3(Predicted)
- Flash point
- 230 °F · >230 °F
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- form
- solid
- Appearance
- Light yellow to green yellow Solid
- InChI
- 1S/C8H5BrS2/c9-8-4-3-7(11-8)6-2-1-5-10-6/h1-5H
- InChIKey
- OMOAIGVIYUXYAU-UHFFFAOYSA-N
- SMILES
- Brc1ccc(s1)-c2cccs2
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 317 · H317-H334
- Precautionary statements
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H317-H334
- Precautionary statements
- P501-P261-P272-P280-P284-P302+P352-P342+P311-P362+P364-P304+P340-P333+P313
Chemistry & industry
Applications
Uses5-Bromo-2,2′-bithiophene may be used in the synthesis of trimethyl-[2,2′;5′,2″;5″,2″]quaterthiophen-5-yl-silane (4TTMS) and 5-hexylsulfanyl-2,2′:5′,2′′-terthiophene.
General Description5-Bromo-2,2′-bithiophene is a bromothiophene derivative. Its reaction with various aryl iodides bearing an electron-donating or electron-withdrawing substituent has been described. It can be synthesized from 2,2′-bithiophene.
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
13 records
Compound notes
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