2-Chlorothiophene - CAS 96-43-5

Catalog:	BB041971
Product Name:	2-Chlorothiophene
CAS:	96-43-5
Synonyms:	2-chlorothiophene

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Computed Properties

IUPAC Name:	2-chlorothiophene
Description:	2-Chlorothiophene (CAS# 96-43-5) is a useful research chemical compound.
Molecular Weight:	118.58
Molecular Formula:	C4H3ClS
Canonical SMILES:	C1=CSC(=C1)Cl
InChI:	InChI=1S/C4H3ClS/c5-4-2-1-3-6-4/h1-3H
InChI Key:	GSFNQBFZFXUTBN-UHFFFAOYSA-N
Boiling Point:	127-129 °C
Melting Point:	-71.9 °C
Purity:	98 %
Density:	1.289 g/cm³
Appearance:	Colorless to light yellow liquid
Storage:	2-8 °C
MDL:	MFCD00005421
LogP:	2.40150

Publication Number	Title	Priority Date
CN-112250709-A	Synthesis method of ortho-aryl substituted tertiary phosphine compound	20201022
CN-111939987-A	Photocatalytic CO2Photocatalytic material for preparing synthetic gas by reduction and method thereof	20200909
JP-2020167439-A	Organic semiconductor film and its manufacturing method	20200629
CN-111518074-A	Tetrachlorodithiophene ethylene, polymer, synthetic method and application of organic thin film transistor	20200423
JP-2021158315-A	Coupled polymers, solutions for forming organic semiconductor layers, organic semiconductor layers, and organic thin film transistors	20200330

PMID	Publication Date	Title	Journal
22851501	20120901	β-D-glucosyl conjugates of highly potent inhibitors of blood coagulation factor Xa bearing 2-chorothiophene as a P1 motif	ChemMedChem
22334438	20120601	Mechanistic studies on the Pd-catalyzed direct C-H arylation of 2-substituted thiophene derivatives with arylpalladium bipyridyl complexes	Chemistry, an Asian journal
21888433	20111013	Positive and negative photoion spectroscopy study of monochlorothiophenes	The journal of physical chemistry. A
22058781	20111001	(2E)-1-(5-Chloro-thio-phen-2-yl)-3-(2,3-dimeth-oxy-phen-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online
22091106	20110801	(2E)-1-(5-Chloro-thio-phen-2-yl)-3-(2,4,5-trimeth-oxy-phen-yl)prop-2-en-1-one	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H225 (10.42%): Highly Flammable liquid and vapor [Danger Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P261, P264, P270, P271, P280, P284, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P320, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	46.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	117.9643990
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	117.9643990
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5