5-Bromosalicylic acid - CAS 89-55-4

Name: 5-Bromosalicylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039526
Product Name:	5-Bromosalicylic acid
CAS:	89-55-4
Synonyms:	5-bromo-2-hydroxybenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-hydroxybenzoic acid
Description:	Chiral ligand for metal mediated asymmetric catalysis.
Molecular Weight:	217.02
Molecular Formula:	C7H5BrO3
Canonical SMILES:	C1=CC(=C(C=C1Br)C(=O)O)O
InChI:	InChI=1S/C7H5BrO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
InChI Key:	IEJOONSLOGAXNO-UHFFFAOYSA-N
Boiling Point:	338.1 °C at 760 mmHg
Melting Point:	162-166 °C
Purity:	98 %
Density:	1.861 g/cm³
Appearance:	White crystalline powder
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00002455
LogP:	1.85290

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]C11H21ClO
Undecanoyl chloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

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
CN-113319275-A	Au @ AgNRs nanorod as well as preparation method and application thereof	20210414
CN-112697771-A	Method for detecting formaldehyde in food by using surface enhanced Raman spectroscopy based on gold nanorod substrate	20201214
CN-110987915-A	Method for rapidly identifying Chinese liquor based on gold nanorod colorimetric sensor array	20191203
CN-110776878-A	Environment-friendly high-boiling-point energy exchange medium and preparation method thereof	20191128
CN-110776878-B	Environment-friendly high-boiling-point energy exchange medium and preparation method thereof	20191128

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
22807738	20120701	catena-Poly[[(1,10-phenanthroline-κ² N,N')lanthanum(III)]-μ-(5-bromo-2-hy-droxy-benzoato)-κ² O¹:O¹'-di-μ-chlorido]	Acta crystallographica. Section E, Structure reports online
21438674	20111001	Fluorescence-based high-throughput screening assay for drug interactions with UGT1A6	Assay and drug development technologies
21580499	20100313	Diaqua-bis(5-bromo-2-hydroxy-benzoato)bis-(N-methyl-nicotinamide)zinc(II)	Acta crystallographica. Section E, Structure reports online
15109665	20040517	Efficient synthesis and structure-activity relationship of honokiol, a neurotrophic biphenyl-type neolignan	Bioorganic & medicinal chemistry letters

Complexity:	160
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.94221
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	215.94221
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2