2-Bromo-4-fluorobenzoic acid - ≥98% , CAS No.1006-41-3

CAS: 1006-41-3 Cat. No.: B120666 Molecular Weight: 219.01 EC Number: 600-118-8
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
4-fluoro-2-bromo benzoic acid | W-200628 | DTXSID00905622 | MFCD00055370 | 2-Bromo-4-fluorobenzoicacid | 2-Bromo-4-fluorobenzoic acid, 97% | TD1032 | 2-bromo-4-fluorobenzoate | SCHEMBL111637 | 4-fluoro-2-bromo-benzoic acid | InChI=1/C7H4BrFO2/c8-6-3-4(9)1
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
B120666-1g
4
$9.90
5g
B120666-5g
4
$10.90
25g
B120666-25g
10

$24.90

$37.90
Save $13.00 (34.30%)
100g
B120666-100g
3

$49.90

$74.90
Save $25.00 (33.38%)
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Why this grade

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

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Overview

application:

2-Bromo-4-fluorobenzoic acid is used in the synthesis of 3-fluoro-8-(methylthio)dibenzo[b,f]thiepin-10(11H)-one, 2-fluoro-8-(methylthio)dibenzo[b,f]thiepin-10(11H)-one, 2-((2-carboxy-5-fluorophenyl)amino)-3-methoxybenzoic acid and 2-bromo-4-fluorobenzamide. It is also used in the preparation of boron-containing anti-fungal agents, in the treatment of onychomycosis

Specifications

Synonyms
4-fluoro-2-bromo benzoic acid | W-200628 | DTXSID00905622 | MFCD00055370 | 2-Bromo-4-fluorobenzoicacid | 2-Bromo-4-fluorobenzoic acid, 97% | TD1032 | 2-bromo-4-fluorobenzoate | SCHEMBL111637 | 4-fluoro-2-bromo-benzoic acid | InChI=1/C7H4BrFO2/c8-6-3-4(9)1
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid488191772
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488191772
Canonical SmilesC1=CC(=C(C=C1F)Br)C(=O)O
IUPAC Name2-bromo-4-fluorobenzoic acid
InChIKeyRRKPMLZRLKTDQV-UHFFFAOYSA-N
INCHI1S/C7H4BrFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
Isomeric SMILES C1=CC(=C(C=C1F)Br)C(=O)O
WGK Germany 3
Molecular Weight 219.01
Reaxy-Rn 2614292
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2614292&ln=

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.

Look up COA →

📊 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
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Halobenzoic acids and derivatives
Direct ParentHalobenzoic acids
Alternative Parents 2-halobenzoic acids  4-halobenzoic acids  Benzoic acids  1-carboxy-2-haloaromatic compounds  Benzoyl derivatives  Bromobenzenes  Fluorobenzenes  Aryl bromides  Aryl fluorides  Vinylogous halides  Monocarboxylic acids and derivatives  Organic oxides  Organobromides  Organooxygen compounds  Organofluorides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents 2-halobenzoic acid or derivatives - Halobenzoic acid - 4-halobenzoic acid - 2-halobenzoic acid - 4-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Bromobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl bromide - Aryl halide - Vinylogous halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organofluoride - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
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.

9 results found

Lot NumberCertificate TypeDateItem
A1330030Certificate of AnalysisFeb 05, 2026 B120666
D2429110Certificate of AnalysisFeb 05, 2026 B120666
D2429125Certificate of AnalysisFeb 05, 2026 B120666
D2429118Certificate of AnalysisFeb 05, 2026 B120666
C2218084Certificate of AnalysisSep 08, 2025 B120666
C2218085Certificate of AnalysisSep 08, 2025 B120666
B1824095Certificate of AnalysisJul 12, 2023 B120666
C2313421Certificate of AnalysisMar 21, 2023 B120666
C2313422Certificate of AnalysisMar 21, 2023 B120666
Chemical and Physical Properties
SolubilitySoluble in water and methanol
Melt Point(°C)167-169°C
Molecular Weight219.010 g/mol
XLogP32.600
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass217.938 Da
Monoisotopic Mass217.938 Da
Topological Polar Surface Area37.300 Ų
Heavy Atom Count11
Formal Charge0
Complexity163.000
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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