5-Bromo-[2,2']bithiophenyl

HCID 640065CAS 3480-11-3

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Basic information

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-BromodithiopheneMFCD01461947C8H5BrS25-Bromo-2,2 inverted exclamation marka-bithiophene2,2'-bithiophene, 5-bromo-

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 properties

XLogP: 4
Topological polar surface area: 56.5 Å²
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: 501 · P501-P261-P272-P280-P284-P302+P352-P342+P311-P362+P364-P304+P340-P333+P313
PPE: 95 · Eyeshields, Gloves, type N95 (US)
WGK Germany: 3 · 3
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

GHS classification

GHS ClassificationNot Classified；Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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.