3-Dodecylthiophene - CAS 104934-52-3

Catalog:	BB001519
Product Name:	3-Dodecylthiophene
CAS:	104934-52-3
Synonyms:	3-dodecylthiophene; 3-dodecylthiophene

Technical Data

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Computed Properties

IUPAC Name:	3-dodecylthiophene
Description:	3-Dodecylthiophene (CAS# 104934-52-3) is a reactant used to make semiconducting copolymers.
Molecular Weight:	252.46
Molecular Formula:	C16H28S
Canonical SMILES:	CCCCCCCCCCCCC1=CSC=C1
InChI:	InChI=1S/C16H28S/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-14-17-15-16/h13-15H,2-12H2,1H3
InChI Key:	RFKWIEFTBMACPZ-UHFFFAOYSA-N
Boiling Point:	290 °C / 760 mmHg
Flash Point:	110 °C
Purity:	98 %
Density:	0.902 g/mL at 25 °C
Appearance:	White to almost white powder to crystal
Storage:	Keep cold.
MDL:	MFCD00130121
LogP:	6.21150
Refractive Index:	1.488 (lit.)

Publication Number	Title	Priority Date
EP-3838422-A1	Composition for forming metallic luster film, metallic luster film, and article	20191213
US-2021179773-A1	Composition for forming metallic luster film, metallic luster film, and article	20191213
US-2021098202-A1	Metal oxide nanoparticle ink, method of preparing the same, metal oxide nanoparticle thin film manufactured using the same, and photoelectric device using the same	20191001
WO-2021015223-A1	Overcurrent protection element	20190725
WO-2021015578-A1	Self-powered perovskite x-ray detector	20190723

PMID	Publication Date	Title	Journal
21732468	20110915	Synthesis and characterizations of regioregular poly(3-alkylthiophene) with alternating dodecyl/1H,1H,2H,2H-perfluorooctyl side chains	Macromolecular rapid communications
21542615	20110526	Solvent-induced crystallization of poly(3-dodecylthiophene): morphology and kinetics	The journal of physical chemistry. B
18717579	20080916	Ideal spread monolayer and multilayer formation of fully hydrophobic polythiophenes via liquid crystal hybridization on water	Langmuir : the ACS journal of surfaces and colloids
16895361	20060801	Probing the electronic properties of self-organized poly(3-dodecylthiophene) monolayers by two-dimensional scanning tunneling spectroscopy imaging at the single chain scale	Nano letters
16863374	20060721	Scanning tunneling spectroscopy simulations of poly(3-dodecylthiophene) chains adsorbed on highly oriented pyrolytic graphite	The Journal of chemical physics

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.19117207
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	252.19117207
Rotatable Bond Count:	11
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	8.2