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4805-22-5 molecular structure
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2-bromo-5-(5-bromothiophen-2-yl)thiophene

ChemBase ID: 70538
Molecular Formular: C8H4Br2S2
Molecular Mass: 324.05536
Monoisotopic Mass: 321.81211613
SMILES and InChIs

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

Cite this record

CBID:70538 http://www.chembase.cn/molecule-70538.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
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
CAS Number
4805-22-5
MDL Number
MFCD00219110
PubChem SID
162036253
24873824
PubChem CID
638908

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.0442643  LogD (pH = 7.4) 5.0442643 
Log P 5.0442643  Molar Refractivity 58.5394 cm3
Polarizability 24.45305 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
144-146 °C(lit.) expand Show data source
144-146°C expand Show data source
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
95+% expand Show data source
98% expand Show data source
99% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C8H4Br2S2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - 515493 external link
Packaging
1, 5 g in glass bottle
Toronto Research Chemicals - D425025 external link
A termination reagent for polymer ization.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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