5-Bromo-2-hydroxy-[1,1'-biphenyl]-3-carboxylic acid , CAS No.99514-99-5

CAS: 99514-99-5 Cat. No.: B669225 Molecular Weight: 293.11 PubChem CID: 22607959
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Synonyms
5-Bromo-3-phenyl salicylic acid | 5-bromo-2-hydroxy-3-phenylbenzoic acid | 5-Bromo-2-hydroxy-[1,1'-biphenyl]-3-carboxylic acid | 5-bromo-2-hydroxy-[1,1'-biphenyl]-3-carboxylicacid | 5-Bromo-3-phenylsalicylic acid | 3-Phenyl-5-bromosalicylic acid | DTXSID9
Storage
Room temperature
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Size
Status
Price
Qty
1mg
B669225-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
B669225-5mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
5-Bromo-3-phenyl salicylic acid | 5-bromo-2-hydroxy-3-phenylbenzoic acid | 5-Bromo-2-hydroxy-[1, 1'-biphenyl]-3-carboxylic acid | 5-bromo-2-hydroxy-[1, 1'-biphenyl]-3-carboxylicacid | 5-Bromo-3-phenylsalicylic acid | 3-Phenyl-5-bromosalicylic acid | DTXSID9
Storage
Room temperature
Action Type
INHIBITOR
Product Properties
ALogP4
Names and Identifiers
Canonical SmilesC1=CC=C(C=C1)C2=C(C(=CC(=C2)Br)C(=O)O)O
IUPAC Name5-bromo-2-hydroxy-3-phenylbenzoic acid
InChIKeyHUQWWRUNBHYQLK-UHFFFAOYSA-N
INCHI1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17)
Isomeric SMILES C1=CC=C(C=C1)C2=C(C(=CC(=C2)Br)C(=O)O)O
PubChem CID 22607959
Molecular Weight 293.11

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBiphenyls and derivatives
Intermediate Tree Nodes Not available
Direct ParentBrominated biphenyls
Alternative Parents Salicylic acids  Halobenzoic acids  3-halobenzoic acids  Benzoic acids  P-bromophenols  Benzoyl derivatives  Bromobenzenes  Aryl bromides  Vinylogous acids  Monocarboxylic acids and derivatives  Carboxylic acids  Organooxygen compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Brominated biphenyl - Halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylic acid - Salicylic acid or derivatives - Hydroxybenzoic acid - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 4-halophenol - 4-bromophenol - Bromobenzene - Halobenzene - Phenol - Aryl halide - Aryl bromide - Vinylogous acid - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organobromide - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as brominated biphenyls. These are organic compounds containing a biphenyl moiety substituted at one or more positions by a bromine atom.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
AKR1C1 Tchem Aldo-keto reductase family 1 member C1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
VEGFA Tclin Vascular endothelial growth factor A (159 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AKR1C3 Tchem Aldo-keto-reductase family 1 member C3 (1414 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AKR1C4 Tchem Aldo-keto reductase family 1 member C4 (224 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AKR1C2 Tchem Aldo-keto reductase family 1 member C2 (639 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Human papillomavirus (81 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight293.110 g/mol
XLogP34.000
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass291.974 Da
Monoisotopic Mass291.974 Da
Topological Polar Surface Area57.500 Ų
Heavy Atom Count17
Formal Charge0
Complexity276.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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