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3-bromo-1H-pyrazole-5-carboxylic acid - 97%, high purity , CAS No.1328893-16-8

COA

Grade & Purity:

≥97%

Cas Number: 1328893-16-8
Molecular Weight: 190.98
EC Number: 818-591-6
MDL number: MFCD21605341
PubChem CID: 21218106

In stock

Item Number

B635553

Grouped product items
SKU	Size	Availability	Price
B635553-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$9.90
B635553-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
B635553-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90
B635553-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$105.90
B635553-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$475.90

View related series

Aromatic heterocyclic compounds (462) Pyrazole compounds (95)

Basic Description

Synonyms	FT-0760670 \| MFCD21605341 \| 5-bromo-1H-pyrazole-3-carboxylicacid \| DS-5864 \| SCHEMBL15648067 \| 1905484-46-9 \| SB12340 \| D80317 \| Z1416184726 \| AKOS016000962 \| EN300-173989 \| AMY11958 \| AC-29468 \| 1328893-16-8 \| 5-Bromo-1H-pyrazole-3-carboxylic acid
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C,Argon charged
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 Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazole carboxylic acids and derivatives
Alternative Parents	Aryl bromides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrazole-5-carboxylic acid or derivatives - Pyrazole-3-carboxylic acid or derivatives - Aryl bromide - Aryl halide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by 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

IUPAC Name	5-bromo-1H-pyrazole-3-carboxylic acid
INCHI	InChI=1S/C4H3BrN2O2/c5-3-1-2(4(8)9)6-7-3/h1H,(H,6,7)(H,8,9)
InChIKey	OOKGNGYUNBYGEL-UHFFFAOYSA-N
Smiles	C1=C(NN=C1C(=O)O)Br
Isomeric SMILES	C1=C(NN=C1C(=O)O)Br
Alternate CAS	1328893-16-8；1905484-46-9
Molecular Weight	190.98
Reaxy-Rn	31140960
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31140960&ln=

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

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

Analytical Chart:

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9 results found

Lot Number	Certificate Type	Date	Item
F2518296	Certificate of Analysis	Dec 04, 2024	B635553
F2518297	Certificate of Analysis	Dec 04, 2024	B635553
F2518315	Certificate of Analysis	Dec 04, 2024	B635553
F2518316	Certificate of Analysis	Dec 04, 2024	B635553
F2518317	Certificate of Analysis	Dec 04, 2024	B635553
F2518318	Certificate of Analysis	Dec 04, 2024	B635553
F2518319	Certificate of Analysis	Dec 04, 2024	B635553
F2518320	Certificate of Analysis	Dec 04, 2024	B635553
F2518283	Certificate of Analysis	Dec 04, 2024	B635553

Chemical and Physical Properties

Molecular Weight	190.980 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	189.938 Da
Monoisotopic Mass	189.938 Da
Topological Polar Surface Area	66.000 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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