2,2'-Bithiophene - CAS 492-97-7

Catalog:	BB026683
Product Name:	2,2'-Bithiophene
CAS:	492-97-7
Synonyms:	2-thiophen-2-ylthiophene

Technical Data

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Computed Properties

IUPAC Name:	2-thiophen-2-ylthiophene
Description:	2,2'-Bithiophene (CAS# 492-97-7) is a reactant in the preparation of thienophenyl compounds.
Molecular Weight:	166.26
Molecular Formula:	C8H6S2
Canonical SMILES:	C1=CSC(=C1)C2=CC=CS2
InChI:	InChI=1S/C8H6S2/c1-3-7(9-5-1)8-4-2-6-10-8/h1-6H
InChI Key:	OHZAHWOAMVVGEL-UHFFFAOYSA-N
Boiling Point:	260 °C
Melting Point:	32-33 °C
Flash Point:	110 °C
Purity:	> 98.0 % (GC)
Density:	1.243 g/cm³
Appearance:	White to light yellow crystal powder
MDL:	MFCD00005414
LogP:	3.47660
Vapor Pressure:	0.00119 [mmHg]

Publication Number	Title	Priority Date
CN-113501938-A	Room temperature Stille cross-coupling copolymerization reaction based on D-A conjugated polymer semiconductor	20210805
CN-113461714-A	Narrow-band-gap non-condensed ring small molecule receptor and preparation method and application thereof	20210715
CN-113354614-A	CPDT-based U-shaped molecule and preparation method and application thereof	20210714
CN-113461713-A	CPDT-based ladder-shaped lattice molecule and preparation method and application thereof	20210714
CN-113368870-A	Sulfur ligand modified monoatomic catalyst and preparation method and application thereof	20210709

PMID	Publication Date	Title	Journal
23060146	20121128	Local electronic properties at organic-metal interfaces: thiophene derivatives on Pt(111)	Physical chemistry chemical physics : PCCP
22951990	20121107	Intermolecular electron transfer promoted by directional donor-acceptor attractions in self-assembled diketopyrrolopyrrole-thiophene films	Physical chemistry chemical physics : PCCP
22842351	20121101	The synthesis, crystal structure and enhanced blue fluorescence emission of novel antipyrine derivatives	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy
22903073	20121014	Thiocyanate-free cyclometalated ruthenium sensitizers for solar cells based on heteroaromatic-substituted 2-arylpyridines	Dalton transactions (Cambridge, England : 2003)
22898903	20121004	Two-photon fluorescent microporous bithiophene polymer via Suzuki cross-coupling	Chemical communications (Cambridge, England)

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GHS Hazard Statement:	H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (25%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (25%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P280-P301+P312-P302+P352-P304+P340
Signal Word:	Warning

Complexity:	99.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.99109254
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.99109254
Rotatable Bond Count:	1
Topological Polar Surface Area:	56.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3