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5-Bromo-1H-1,2,4-triazole-3-carboxylic acid - 95%, high purity , CAS No.674287-63-9

COA

Grade & Purity:

≥95%

Cas Number: 674287-63-9
Molecular Weight: 192
PubChem CID: 12007255

In stock

Item Number

B185947

Grouped product items
SKU	Size	Availability	Price
B185947-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$68.90
B185947-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$176.90
B185947-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$611.90

Discover 5-Bromo-1H-1,2,4-triazole-3-carboxylic acid by Aladdin Scientific in 95% for only $68.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	5-Bromo-1H-1,2,4-triazole-3-carboxylic acid \| 674287-63-9 \| 5-BROMO-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID \| 1H-1,2,4-Triazole-3-carboxylic acid, 5-bromo- \| 5-BROMO-2H-1,2,4-TRIAZOLE-3-CARBOXYLIC ACID \| SCHEMBL4858369 \| DTXSID50475683 \| AMY31930 \| BBL031758 \| MFCD11040182 \| STL317
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organohalogen compounds
  - Class Aryl halides
    - Subclass Aryl bromides

Kingdom	Organic compounds
Superclass	Organohalogen compounds
Class	Aryl halides
Subclass	Aryl bromides
Intermediate Tree Nodes	Not available
Direct Parent	Aryl bromides
Alternative Parents	Triazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl bromide - Azole - 1,2,4-triazole - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional 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

IUPAC Name	5-bromo-1H-1,2,4-triazole-3-carboxylic acid
INCHI	InChI=1S/C3H2BrN3O2/c4-3-5-1(2(8)9)6-7-3/h(H,8,9)(H,5,6,7)
InChIKey	PDLIDTOGYMYMLD-UHFFFAOYSA-N
Smiles	C1(=NNC(=N1)Br)C(=O)O
Isomeric SMILES	C1(=NNC(=N1)Br)C(=O)O
Molecular Weight	192
Reaxy-Rn	23421309
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=23421309&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	191.970 g/mol
XLogP3	0.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	190.933 Da
Monoisotopic Mass	190.933 Da
Topological Polar Surface Area	78.900 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	130.000
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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