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Methyl 4-bromo-1h-pyrazole-3-carboxylate - 98%, high purity , CAS No.81190-89-8

COA

Grade & Purity:

≥98%

Cas Number: 81190-89-8
Molecular Weight: 205
PubChem CID: 2828046
PubChem SID: 504762222

In stock

Item Number

M186723

Grouped product items
SKU	Size	Availability	Price
M186723-1g	1g	3	$97.90
M186723-5g	5g	2	$337.90
M186723-25g	25g	2	$1,168.90
M186723-100g	100g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$3,262.90

Basic Description

Synonyms	methyl 4-bromo-1H-pyrazole-3-carboxylate \| 81190-89-8 \| methyl 4-bromo-1H-pyrazole-5-carboxylate \| 190263-20-8 \| 1639902-31-0 \| 4-Bromo-1H-pyrazole-3-carboxylic acid methyl ester \| MFCD00619124 \| 1H-Pyrazole-3-carboxylic acid, 4-bromo-, methyl ester \| methyl 4-bromopyraz
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 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 Vinylogous halides Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen 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 - Methyl ester - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Hydrocarbon derivative - 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

Pubchem Sid	504762222
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504762222
IUPAC Name	methyl 4-bromo-1H-pyrazole-5-carboxylate
INCHI	InChI=1S/C5H5BrN2O2/c1-10-5(9)4-3(6)2-7-8-4/h2H,1H3,(H,7,8)
InChIKey	KWQDACZQHJCUNK-UHFFFAOYSA-N
Smiles	COC(=O)C1=C(C=NN1)Br
Isomeric SMILES	COC(=O)C1=C(C=NN1)Br
Molecular Weight	205
Reaxy-Rn	4392292
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4392292&ln=

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

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3 results found

Lot Number	Certificate Type	Date	Item
F1927003	Certificate of Analysis	Feb 07, 2023	M186723
L22071230	Certificate of Analysis	Dec 19, 2022	M186723
L22071195	Certificate of Analysis	Dec 10, 2022	M186723

Chemical and Physical Properties

Molecular Weight	205.010 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	203.953 Da
Monoisotopic Mass	203.953 Da
Topological Polar Surface Area	55.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	142.000
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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