3-Bromo-4-hydroxybenzoic acid - CAS 14348-41-5

Catalog:	BB009611
Product Name:	3-Bromo-4-hydroxybenzoic acid
CAS:	14348-41-5
Synonyms:	Benzoic acid, 3-bromo-4-hydroxy-; m-Bromo-p-hydroxybenzoic acid

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-4-hydroxybenzoic acid
Molecular Weight:	217.02
Molecular Formula:	C7H5BrO3
Canonical SMILES:	C1=CC(=C(C=C1C(=O)O)Br)O
InChI:	InChI=1S/C7H5BrO3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,9H,(H,10,11)
InChI Key:	XMEQDAIDOBVHEK-UHFFFAOYSA-N
Boiling Point:	338.9±32.0°C at 760 mmHg
Melting Point:	177°C
Purity:	≥95%
Density:	1.861±0.06 g/cm3
Solubility:	Soluble in Methanol
Appearance:	White to Almost White Powder to Crystal
Storage:	Store at 2-8°C
MDL:	MFCD00017547
LogP:	1.85290

Publication Number	Title	Priority Date
WO-2021066922-A1	Antiviral heterocyclic compounds	20191004
KR-20200123687-A	Battery case, and battery	20190422
US-2020335732-A1	Battery case and battery	20190422
CN-111825608-A	Tetrahydroquinoline and tetrahydroisoquinoline compounds and application thereof	20190418
JP-2020128368-A	Medicine containing an azole-substituted pyridine compound as an active ingredient	20190208

PMID	Publication Date	Title	Journal
21674164	20110801	Degradation of bromoxynil octanoate by strain Acinetobacter sp. XB2 isolated from contaminated soil	Current microbiology
19177194	20090101	Preparation and Characterization of a Polyclonal Antibody against Brominated Protein	Journal of clinical biochemistry and nutrition
15714798	20050101	[Bromophenols from the brown alga Leathesia nana]	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica

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Related Functional Groups

Carbonyl Compounds

[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
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P310, P330, and P501
Signal Word:	Danger

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:	2.1