4-Bromoindole - CAS 52488-36-5

Catalog:	BB027847
Product Name:	4-Bromoindole
CAS:	52488-36-5
Synonyms:	1H-Indole, 4-bromo-; Indole, 4-bromo-

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

Related CAS:	1425049-60-0 (Deleted CAS)
IUPAC Name:	4-bromo-1H-indole
Description:	A potential inhibitor of GSK-3.
Molecular Weight:	196.04
Molecular Formula:	C8H6BrN
Canonical SMILES:	C1=CC2=C(C=CN2)C(=C1)Br
InChI:	InChI=1S/C8H6BrN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-5,10H
InChI Key:	GRJZJFUBQYULKL-UHFFFAOYSA-N
Boiling Point:	96°C at 1 Torr
Melting Point:	15°C
Purity:	≥95%
Density:	1.660±0.06 g/cm3
Solubility:	Soluble in Chloroform (Sparingly), DMSO (Slightly), Ethyl Acetate
Appearance:	Pale Yellow to Yellow Oily Matter
Storage:	Store at 2-8°C
MDL:	MFCD00671502
LogP:	2.93040

Publication Number	Title	Priority Date
CN-112574093-A	Novel green method for preparing 3-diaryl methyl substituted indole compound	20210129
CN-112479969-A	1, 3-di (1H-indole) group-1-fluorine-1-propylene derivative and synthetic method thereof	20201109
CN-112174938-A	4-indole-2-aminopyrimidine compounds and application thereof	20201027
CN-111303001-A	Synthesis method of indole mono-substituted 2-hydroxy-3- (1H-indol-3-yl) propionic acid compound	20200410
CN-111233742-A	Drug-resistant bacterium resisting compound and preparation method and application thereof	20200330

PMID	Publication Date	Title	Journal
22347062	20120201	2-(4-Bromo-1H-indol-3-yl)acetonitrile	Acta crystallographica. Section E, Structure reports online
22019468	20111201	Identification of novel CYP2A6 inhibitors by virtual screening	Bioorganic & medicinal chemistry
17184884	20070301	Identification of novel short chain 4-substituted indoles as potent alphavbeta3 antagonist using structure-based drug design	European journal of medicinal chemistry
14703336	20040108	A new synthesis of lysergic acid	Organic letters

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Related Functional Groups

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[20776-45-8]
5-Benzyloxytryptamine
[1375064-58-6]
Ethyl 3-Bromo-4-chloroindole-1-carboxylate
[1375064-59-7]
Ethyl 3-Bromoindole-1-carboxylate
[61149-52-8]
Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate
[4993-93-5]
Ethyl 4-nitro-1H-indole-2-carboxylate

GHS Hazard Statement:	H315 (95.35%): 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:	126
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.96836
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	194.96836
Rotatable Bond Count:	0
Topological Polar Surface Area:	15.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4