3-Bromofuran-2(5H)-one - CAS 76311-89-2

Catalog:	BB035550
Product Name:	3-Bromofuran-2(5H)-one
CAS:	76311-89-2
Synonyms:	4-bromo-2H-furan-5-one; 4-bromo-2H-furan-5-one

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-2H-furan-5-one
Description:	3-Bromofuran-2(5H)-one (CAS# 76311-89-2) is a useful research chemical.
Molecular Weight:	162.97
Molecular Formula:	C4H3BrO2
Canonical SMILES:	C1C=C(C(=O)O1)Br
InChI:	InChI=1S/C4H3BrO2/c5-3-1-2-7-4(3)6/h1H,2H2
InChI Key:	QSYHSDNIQZDYGF-UHFFFAOYSA-N
Boiling Point:	295.9 °C at 760 mmHg
Density:	1.989 g/cm³
LogP:	0.82200

Publication Number	Title	Priority Date
CN-108675974-B	Strigolactone derivatives and preparation method and application thereof	20180507
CN-107955004-A	A kind of matrine -2 (5H)-furanone derivatives and its preparation method and the application in medicines resistant to liver cancer is prepared	20171223
CN-107652255-A	2 (5H) furanone derivatives of a kind of chirality and its preparation method and the application in anti-cervical cancer and medicines resistant to liver cancer is prepared	20171103
CN-106518822-A	Synthetic method of strigolactone (+/-)-GR24 and 4-substituted (+/-)-GR24	20161031
CN-106518822-B	The synthetic method of witchweed lactone (Â±)-GR24 and (Â±)-GR24 of 4 substitutions	20161031

PMID	Publication Date	Title	Journal
22006105	20111128	Vanadium bromoperoxidase from Delisea pulchra: enzyme-catalyzed formation of bromofuranone and attendant disruption of quorum sensing	Chemical communications (Cambridge, England)
21321762	20110407	Aromatic A-ring analogues of orobanchol, new germination stimulants for seeds of parasitic weeds	Organic & biomolecular chemistry
15669063	20050218	Stereoselective syntheses of dihydroxerulin and xerulinic acid, anti-hypocholesterolemic dyes from the fungus Xerula melanotricha	Chemistry (Weinheim an der Bergstrasse, Germany)

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.93164
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	161.93164
Rotatable Bond Count:	0
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1