2-(2-Bromoacetyl)thiophene - CAS 10531-41-6

Catalog:	BB001605
Product Name:	2-(2-Bromoacetyl)thiophene
CAS:	10531-41-6
Synonyms:	2-bromo-1-thiophen-2-ylethanone

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Computed Properties

IUPAC Name:	2-bromo-1-thiophen-2-ylethanone
Description:	2-(2-Bromoacetyl)thiophene (CAS# 10531-41-6) is a useful research chemical.
Molecular Weight:	205.07
Molecular Formula:	C6H5BrOS
Canonical SMILES:	C1=CSC(=C1)C(=O)CBr
InChI:	InChI=1S/C6H5BrOS/c7-4-5(8)6-2-1-3-9-6/h1-3H,4H2
InChI Key:	UHWNENCHFSDZQP-UHFFFAOYSA-N
Boiling Point:	268.5 °C at 760 mmHg
Melting Point:	29-33 °C
Purity:	95 %
Density:	1.658 g/cm³
Appearance:	White to brown solid, crystals, crystalline powder and/or chunks
Storage:	Keep Cold
MDL:	MFCD02677721
LogP:	2.32570

Publication Number	Title	Priority Date
WO-2021127594-A1	Engineered cells for therapy	20191218
WO-2020073786-A1	Diaryl imidazole-containing compound, preparation method therefor and medical use thereof	20181012
KR-20200012316-A	1,3,4-Oxadiazole Derivative Compounds as Histone Deacetylase 6 Inhibitor, and the Pharmaceutical Composition Comprising the same	20180726
WO-2020022794-A1	1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and pharmaceutical composition comprising the same	20180726
TW-202019917-A	1,3,4-oxadiazole derivatives as histone deacetylase 6 inhibitors and pharmaceutical compositions containing them	20180726

PMID	Publication Date	Title	Journal
21522480	20110226	(1-Phenyl-sulfonyl-1H-indol-2-yl)(thio-phen-2-yl)methanone	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (86.36%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P405, and P501
Signal Word:	Danger

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.92445
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.92445
Rotatable Bond Count:	2
Topological Polar Surface Area:	45.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2