2-(4-Bromophenyl)-1,3,4-oxadiazole - CAS 41420-90-0

Catalog:	BB024879
Product Name:	2-(4-Bromophenyl)-1,3,4-oxadiazole
CAS:	41420-90-0
Synonyms:	2-(4-bromophenyl)-1,3,4-oxadiazole

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-(4-bromophenyl)-1,3,4-oxadiazole
Description:	2-(4-Bromophenyl)-1,3,4-oxadiazole (CAS# 41420-90-0) is a useful research chemical.
Molecular Weight:	225.04
Molecular Formula:	C8H5BrN2O
Canonical SMILES:	C1=CC(=CC=C1C2=NN=CO2)Br
InChI:	InChI=1S/C8H5BrN2O/c9-7-3-1-6(2-4-7)8-11-10-5-12-8/h1-5H
InChI Key:	UGBVZNXXRZISHN-UHFFFAOYSA-N
Boiling Point:	303.1 °C at 760 mmHg
Density:	1.605 g/cm³
Appearance:	Solid
MDL:	MFCD00491614
LogP:	2.49910

Publication Number	Title	Priority Date
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619
CN-109232463-A	Using DMF as one step of carbon source construct 2-(4- bromophenyl) -1,3,4- oxadiazoles method	20181112
CN-108774218-B	Pyrimidine antitumor compound with 1,3, 4-oxadiazole structure and preparation method and application thereof	20180723
CN-108039422-B	Electron transport material and preparation method applied to solution processing type organic electroluminescence device	20171219
CN-106397420-B	3- (5- aryl-1,3,4-oxdiazole -2- bases) asarinin analog derivative, preparation method and application	20160905

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Related Functional Groups

Oxadiazole/Thiadiazole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	148
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.95853
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.95853
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1