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5-Bromo-3-(trifluoromethyl)picolinic acid - 98%, high purity , CAS No.1211580-84-5

COA

Grade & Purity:

≥98%

Cas Number: 1211580-84-5
Molecular Weight: 270
PubChem CID: 56923646
PubChem SID: 488201783

In stock

Item Number

B573526

Grouped product items
SKU	Size	Availability	Price
B573526-100mg	100mg	5	$23.90
B573526-250mg	250mg	2	$36.90
B573526-1g	1g	1	$102.90
B573526-5g	5g	1	$440.90

Basic Description

Synonyms	1211580-84-5 \| 5-bromo-3-(trifluoromethyl)pyridine-2-carboxylic acid \| 5-bromo-3-(trifluoromethyl)picolinic acid \| 5-Bromo-3-(trifluoromethyl)-2-pyridinecarboxylic acid \| MFCD13185433 \| SCHEMBL17047064 \| AMY6515 \| DTXSID70718761 \| PQVPMPDGEIKZRG-UHFFFAOYSA-N \| AKOS01583442
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives
    - Subclass Pyridinecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Pyridinecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinecarboxylic acids
Alternative Parents	Aryl bromides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine carboxylic acid - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinecarboxylic acids. These are compounds containing a pyridine ring bearing a carboxylic acid group.
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	488201783
IUPAC Name	5-bromo-3-(trifluoromethyl)pyridine-2-carboxylic acid
INCHI	InChI=1S/C7H3BrF3NO2/c8-3-1-4(7(9,10)11)5(6(13)14)12-2-3/h1-2H,(H,13,14)
InChIKey	PQVPMPDGEIKZRG-UHFFFAOYSA-N
Smiles	C1=C(C=NC(=C1C(F)(F)F)C(=O)O)Br
Isomeric SMILES	C1=C(C=NC(=C1C(F)(F)F)C(=O)O)Br
Molecular Weight	270
Reaxy-Rn	37349341
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=37349341&ln=

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

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Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
D2308799	Certificate of Analysis	Feb 23, 2023	B573526
D2308803	Certificate of Analysis	Feb 23, 2023	B573526
D2308804	Certificate of Analysis	Feb 23, 2023	B573526
D2308805	Certificate of Analysis	Feb 23, 2023	B573526
D2308790	Certificate of Analysis	Feb 23, 2023	B573526
D2308802	Certificate of Analysis	Feb 23, 2023	B573526
D2308791	Certificate of Analysis	Feb 23, 2023	B573526
D2308797	Certificate of Analysis	Feb 23, 2023	B573526

Chemical and Physical Properties

Molecular Weight	270.000 g/mol
XLogP3	2.300
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	268.93 Da
Monoisotopic Mass	268.93 Da
Topological Polar Surface Area	50.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	233.000
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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