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4-Bromo-3-fluorobenzoic acid - 98%, high purity , CAS No.153556-42-4

COA

Grade & Purity:

≥98%

Cas Number: 153556-42-4
Molecular Weight: 219.01
MDL number: MFCD00672932
PubChem CID: 2773341
PubChem SID: 488193472

In stock

Item Number

B123999

Grouped product items
SKU	Size	Availability	Price
B123999-1g	1g	4	$12.90
B123999-5g	5g	4	$44.90
B123999-25g	25g	2	$200.90
B123999-100g	100g	2	$720.90

Discover 4-Bromo-3-fluorobenzoic acid by Aladdin Scientific in 98% for only $12.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	4-BROMO-3-FLUOROBENZOIC ACID \| 4-bromo-3-fluoro-benzoic Acid \| 4-Bromo-3-fluorobenzoicacid \| 3-fluoro-4-bromobenzoic acid \| 4-bromo-3-fluoro benzoic acid \| FT-0601251 \| AM20060107 \| MFCD00672932 \| AB06858 \| EN300-52692 \| DTXSID70378389 \| 4-Bromo-3-fluorob
Specifications & Purity	≥98%
Shipped In	Normal

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	4-halobenzoic acids 3-halobenzoic acids Benzoic acids Benzoyl derivatives Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	3-halobenzoic acid or derivatives - Halobenzoic acid - 4-halobenzoic acid - 3-halobenzoic acid - 4-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Bromobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl bromide - Aryl halide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organobromide - Organohalogen compound - Organic oxide - Organic oxygen compound - Organofluoride - 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	488193472
IUPAC Name	4-bromo-3-fluorobenzoic acid
INCHI	InChI=1S/C7H4BrFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11)
InChIKey	RMYOGXPGIDWJLU-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(=O)O)F)Br
Isomeric SMILES	C1=CC(=C(C=C1C(=O)O)F)Br
Molecular Weight	219.01
Reaxy-Rn	8901485
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8901485&ln=

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.

5 results found

Lot Number	Certificate Type	Date	Item
H2310125	Certificate of Analysis	May 10, 2023	B123999
H2310126	Certificate of Analysis	May 10, 2023	B123999
C2314063	Certificate of Analysis	Mar 29, 2023	B123999
C2314064	Certificate of Analysis	Mar 18, 2023	B123999
G1527033	Certificate of Analysis	Mar 08, 2023	B123999

Chemical and Physical Properties

Melt Point(°C)	210-213°C
Molecular Weight	219.010 g/mol
XLogP3	2.200
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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