4′-Bromo-biphenyl-4-carboxylic acid - ≥98% , CAS No.5731-11-3

CAS: 5731-11-3 Cat. No.: B331264 Molecular Weight: 277.11 EC Number: 993-154-1
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
SY357283 | 4 inverted exclamation mark -Bromo-[1,1 inverted exclamation mark -biphenyl]-4-carboxylic Acid | 4-Biphenylcarboxylic acid, 4'-bromo- | CCG-103085 | 4-Bromo-4'-Biphenylcarboxylic Acid | 4'-Bromo-biphenyl-4-carboxylic acid | 4'-bromobiphenyl-4-c
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
B331264-250mg
3
$37.90
1g
B331264-1g
1
$114.90
5g
B331264-5g
1

$259.90

$513.90
Save $254.00 (49.43%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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.

Overview

4'-Bromo[1,1'-biphenyl]-4-carboxylic Acid functions as a novel A-C ring steroidomimetic inhibitors of 5α-reductase (5αR) type 1 and 2.

Specifications

Synonyms
SY357283 | 4 inverted exclamation mark -Bromo-[1, 1 inverted exclamation mark -biphenyl]-4-carboxylic Acid | 4-Biphenylcarboxylic acid, 4'-bromo- | CCG-103085 | 4-Bromo-4'-Biphenylcarboxylic Acid | 4'-Bromo-biphenyl-4-carboxylic acid | 4'-bromobiphenyl-4-c
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488194076
Canonical SmilesC1=CC(=CC=C1C2=CC=C(C=C2)Br)C(=O)O
IUPAC Name4-(4-bromophenyl)benzoic acid
InChIKeyUTHDVFIFIMWTJQ-UHFFFAOYSA-N
INCHI1S/C13H9BrO2/c14-12-7-5-10(6-8-12)9-1-3-11(4-2-9)13(15)16/h1-8H,(H,15,16)
Isomeric SMILES C1=CC(=CC=C1C2=CC=C(C=C2)Br)C(=O)O
Molecular Weight 277.11
Reaxy-Rn 1960024
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1960024&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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.

View spec sheet →

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 Benzoic acids  Benzoyl derivatives  Bromobenzenes  Aryl bromides  Monocarboxylic acids and derivatives  Carboxylic acids  Organooxygen compounds  Organobromides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Brominated biphenyl - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

7 results found

Lot NumberCertificate TypeDateItem
A2329555Certificate of AnalysisNov 06, 2025 B331264
A2329554Certificate of AnalysisNov 06, 2025 B331264
A2329552Certificate of AnalysisNov 06, 2025 B331264
A2329549Certificate of AnalysisNov 06, 2025 B331264
A2329406Certificate of AnalysisOct 29, 2025 B331264
A2329408Certificate of AnalysisOct 29, 2025 B331264
F2518014Certificate of AnalysisNov 23, 2022 B331264
Chemical and Physical Properties
Melt Point(°C)301-302° C
Molecular Weight277.110 g/mol
XLogP34.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass275.979 Da
Monoisotopic Mass275.979 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count16
Formal Charge0
Complexity238.000
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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