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5-Bromo-2,3-difluorobenzoic acid - 97%, high purity , CAS No.887585-64-0

COA

Grade & Purity:

≥97%

Cas Number: 887585-64-0
Molecular Weight: 237
PubChem CID: 23001794
PubChem SID: 488200257

In stock

Item Number

B187790

Grouped product items
SKU	Size	Availability	Price
B187790-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$60.90
B187790-1g	1g	5	$200.90
B187790-5g	5g	1	$609.90

Discover 5-Bromo-2,3-difluorobenzoic acid by Aladdin Scientific in 97% for only $60.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	5-Bromo-2,3-difluorobenzoic acid \| 887585-64-0 \| MFCD04972472 \| 5-Bromo-2,3-difluorobenzoicacid \| SCHEMBL671102 \| DTXSID40629512 \| IOYATAKVVIXJQT-UHFFFAOYSA-N \| AKOS015834358 \| AB21087 \| AS-33114 \| SY239850 \| CS-0187109 \| EN300-120869 \| Z1269159292
Specifications & Purity	≥97%
Storage Temp	Room temperature
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	3-halobenzoic acids 2-halobenzoic acids Benzoic acids Benzoyl derivatives 1-carboxy-2-haloaromatic compounds Fluorobenzenes Bromobenzenes Aryl fluorides Aryl bromides Vinylogous halides Organooxygen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	2-halobenzoic acid or derivatives - Halobenzoic acid - 3-halobenzoic acid - 2-halobenzoic acid - 3-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - 1-carboxy-2-haloaromatic compound - Bromobenzene - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl bromide - Aryl halide - Vinylogous halide - 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	488200257
IUPAC Name	5-bromo-2,3-difluorobenzoic acid
INCHI	InChI=1S/C7H3BrF2O2/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2H,(H,11,12)
InChIKey	IOYATAKVVIXJQT-UHFFFAOYSA-N
Smiles	C1=C(C=C(C(=C1C(=O)O)F)F)Br
Isomeric SMILES	C1=C(C=C(C(=C1C(=O)O)F)F)Br
Molecular Weight	237
Reaxy-Rn	26727457
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=26727457&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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3 results found

Lot Number	Certificate Type	Date	Item
F2002058	Certificate of Analysis	Mar 13, 2023	B187790
K2321207	Certificate of Analysis	Mar 13, 2023	B187790
L2212207	Certificate of Analysis	Dec 14, 2022	B187790

Chemical and Physical Properties

Molecular Weight	237.000 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	235.928 Da
Monoisotopic Mass	235.928 Da
Topological Polar Surface Area	37.300 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	188.000
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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