5-Bromo-1-benzothiophene - CAS 4923-87-9

Catalog:	BB026670
Product Name:	5-Bromo-1-benzothiophene
CAS:	4923-87-9
Synonyms:	5-bromo-1-benzothiophene; 5-bromo-1-benzothiophene

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-1-benzothiophene
Description:	5-Bromo-1-benzothiophene (CAS# 4923-87-9) is used as a reactant in the preparation of 4-aminoquinolines and tetraoxanes displaying antimalarial activity.
Molecular Weight:	213.09
Molecular Formula:	C8H5BrS
Canonical SMILES:	C1=CC2=C(C=CS2)C=C1Br
InChI:	InChI=1S/C8H5BrS/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
InChI Key:	RDSIMGKJEYNNLF-UHFFFAOYSA-N
Boiling Point:	105-107 °C
Density:	1.649 g/cm³
Appearance:	Solid
MDL:	MFCD03069318
LogP:	3.66380

Publication Number	Title	Priority Date
CN-111533696-A	Benzimidazole derivative, benzothiophene derivative, and preparation method and application thereof	20200526
WO-2021208963-A1	Bcl-2 inhibitor	20200415
WO-2021163921-A1	New compound and use thereof	20200219
CN-110563773-A	Planar chiral ferrocene compound, intermediate thereof, preparation method and application	20190920
CN-112409385-A	Azaaryl compounds and uses thereof	20190822

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GHS Hazard Statement:	H302 (82.61%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.92953
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	211.92953
Rotatable Bond Count:	0
Topological Polar Surface Area:	28.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8