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

COA

Grade & Purity:

≥98%

Cas Number: 1006-41-3
Molecular Weight: 219.01
MDL number: MFCD00055370
PubChem CID: 1268169
PubChem SID: 488191772

In stock

Item Number

B120666

Grouped product items
SKU	Size	Availability	Price
B120666-1g	1g	4	$9.90
B120666-5g	5g	4	$13.90
B120666-25g	25g	10	$27.90
B120666-100g	100g	3	$105.90

View related series

Carbonyl compound (2335) carboxylic acid (2098)

Basic Description

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%
Shipped In	Normal
Product Description	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

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Halobenzoic acids and derivatives
        Level6 Halobenzoic acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Halobenzoic acids and derivatives
Direct Parent	Halobenzoic 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 Framework	Aromatic 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
Description	This 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
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488191772
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191772
IUPAC Name	2-bromo-4-fluorobenzoic acid
INCHI	InChI=1S/C7H4BrFO2/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3H,(H,10,11)
InChIKey	RRKPMLZRLKTDQV-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1F)Br)C(=O)O
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=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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9 results found

Lot Number	Certificate Type	Date	Item
A1330030	Certificate of Analysis	May 06, 2024	B120666
D2429110	Certificate of Analysis	Mar 22, 2024	B120666
D2429125	Certificate of Analysis	Mar 22, 2024	B120666
D2429118	Certificate of Analysis	Mar 22, 2024	B120666
C2218084	Certificate of Analysis	Dec 22, 2023	B120666
C2218085	Certificate of Analysis	Dec 22, 2023	B120666
B1824095	Certificate of Analysis	Jul 12, 2023	B120666
C2313421	Certificate of Analysis	Mar 21, 2023	B120666
C2313422	Certificate of Analysis	Mar 21, 2023	B120666

Chemical and Physical Properties

Solubility	Soluble in water and methanol
Melt Point(°C)	167-169°C
Molecular Weight	219.010 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	217.938 Da
Monoisotopic Mass	217.938 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	163.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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