6-Bromo-4-hydroxycoumarin - CAS 4139-61-1

Catalog:	BB024873
Product Name:	6-Bromo-4-hydroxycoumarin
CAS:	4139-61-1
Synonyms:	6-bromo-4-hydroxy-1-benzopyran-2-one; 6-bromo-4-hydroxychromen-2-one

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Computed Properties

IUPAC Name:	6-bromo-4-hydroxychromen-2-one
Description:	6-Bromo-4-hydroxycoumarin (CAS# 4139-61-1) is a useful research chemical.
Molecular Weight:	241.04
Molecular Formula:	C9H5BrO3
Canonical SMILES:	C1=CC2=C(C=C1Br)C(=CC(=O)O2)O
InChI:	InChI=1S/C9H5BrO3/c10-5-1-2-8-6(3-5)7(11)4-9(12)13-8/h1-4,11H
InChI Key:	KNMCTCABMSGXGR-UHFFFAOYSA-N
Boiling Point:	405.8 °C at 760 mmHg
Density:	1.879 g/cm³
Appearance:	Solid
MDL:	MFCD00239372
LogP:	2.26110

Publication Number	Title	Priority Date
CN-110386998-B	Coumarin inulin derivative and preparation and application thereof	20190722
CN-111378145-A	Force-induced response multiphase supramolecular block polymer	20190101
CN-111378179-A	Force-induced response supramolecular polymer	20190101
CN-108598533-A	Cyclization cross-linked polyimide proton exchange membrane based on cumarin and preparation method thereof	20180425
CN-108598533-B	Coumarin-based photocyclization crosslinking sulfonated polyimide proton exchange membrane and preparation method thereof	20180425

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Related Functional Groups

Benzopyrans

[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
[83278-86-8]
2-(Hydroxymethyl)chromane
[4139-61-1]
6-Bromo-4-hydroxycoumarin
[33259-31-3]
3-amino-7-methoxy-2H-chromen-2-one
[182949-89-9]
5-Bromoisochroman
[207804-97-5]
6-Nitroisochromane

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GHS Hazard Statement:	H315 (100%): 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:	262
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.94221
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.94221
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2