3,5-Dibromosalicylic acid - CAS 3147-55-5

Name: 3,5-Dibromosalicylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020938
Product Name:	3,5-Dibromosalicylic acid
CAS:	3147-55-5
Synonyms:	3,5-dibromo-2-hydroxybenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	3,5-dibromo-2-hydroxybenzoic acid
Description:	3,5-Dibromosalicylic acid (CAS# 3147-55-5) is a useful research chemical.
Molecular Weight:	295.91
Molecular Formula:	C7H4Br2O3
Canonical SMILES:	C1=C(C=C(C(=C1Br)O)C(=O)O)Br
InChI:	InChI=1S/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12)
InChI Key:	BFBZHSOXKROMBG-UHFFFAOYSA-N
Boiling Point:	341.3 °C at 760 mmHg
Melting Point:	226-229 °C
Purity:	95 %
Density:	2.228 g/cm³
Appearance:	White to light yellow crystal powder
Storage:	Store in a cool, dry place. Store in a tightly closed container.
MDL:	MFCD00002441
LogP:	2.61540

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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

Publication Number	Title	Priority Date
WO-2021106569-A1	Membrane formation composition, and gas permeation membrane	20191128
US-2021061885-A1	Thiosuccinyl-crosslinked Hemoglobin Analogs and Methods of Use and Preparation Thereof	20190829
WO-2021003078-A1	Inhibitors of protein arginine deiminase 1 and methods of preparation and use thereof	20190703
US-2019116788-A1	Dicamba compositions with reduced spray drift potential	20171019
WO-2019079236-A1	DICAMBA COMPOSITIONS WITH REDUCED SPRAY DERIVED POTENTIAL	20171019

PMID	Publication Date	Title	Journal
22863810	20121001	New insight into photo-bromination processes in saline surface waters: the case of salicylic acid	The Science of the total environment
21836876	20110701	Tricyclo-hex-yl(3,5-dibromo-2-hy-droxy-benzoato-κO)tin(IV)	Acta crystallographica. Section E, Structure reports online
19397269	20090528	Structure-guided design, synthesis, and evaluation of salicylic acid-based inhibitors targeting a selectivity pocket in the active site of human 20alpha-hydroxysteroid dehydrogenase (AKR1C1)	Journal of medicinal chemistry
21200863	20071206	3,5-Dibromo-2-hydroxy-benzoic acid	Acta crystallographica. Section E, Structure reports online
12958911	20011201	[Spectrophotometric determination of microamounts of thorium with 3,5-dibromosalicylfluorone by ion-exchange separation]	Guang pu xue yu guang pu fen xi = Guang pu

Complexity:	186
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	295.85067
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	293.85272
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3