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tert-butyl 4-formyl-1h-pyrazole-1-carboxylate - 97%, high purity , CAS No.821767-61-7

COA

Grade & Purity:

≥97%

Cas Number: 821767-61-7
Molecular Weight: 196.20
PubChem CID: 23138497
PubChem SID: 488200290

In stock

Item Number

T177525

Grouped product items
SKU	Size	Availability	Price
T177525-1g	1g	3	$87.90
T177525-250mg	250mg	3	$26.90
T177525-25g	25g	2	$1,763.90
T177525-5g	5g	5	$391.90

Basic Description

Synonyms	TERT-BUTYL 4-FORMYL-1H-PYRAZOLE-1-CARBOXYLATE \| 821767-61-7 \| tert-butyl 4-formylpyrazole-1-carboxylate \| MFCD19707636 \| 1H-Pyrazole-1-carboxylic acid, 4-formyl-, 1,1-dimethylethyl ester \| tert-Butyl4-formyl-1H-pyrazole-1-carboxylate \| Tert butyl-4-Formyl-1H pyrazole
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-aldehydes Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrazole-1-carboxylic acid or derivatives - Aryl-aldehyde - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aldehyde - 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	488200290
IUPAC Name	tert-butyl 4-formylpyrazole-1-carboxylate
INCHI	InChI=1S/C9H12N2O3/c1-9(2,3)14-8(13)11-5-7(6-12)4-10-11/h4-6H,1-3H3
InChIKey	CVBRMQQRHHCMKV-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1C=C(C=N1)C=O
Isomeric SMILES	CC(C)(C)OC(=O)N1C=C(C=N1)C=O
PubChem CID	23138497
Molecular Weight	196.20

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
G23131438	Certificate of Analysis	Jun 14, 2023	T177525
G23131396	Certificate of Analysis	Jun 14, 2023	T177525
G23131393	Certificate of Analysis	Jun 14, 2023	T177525
G23121397	Certificate of Analysis	Jun 14, 2023	T177525
G23131444	Certificate of Analysis	Jun 14, 2023	T177525
G23131443	Certificate of Analysis	Jun 14, 2023	T177525
G23131445	Certificate of Analysis	Jun 14, 2023	T177525
G23131441	Certificate of Analysis	Jun 14, 2023	T177525

Chemical and Physical Properties

Molecular Weight	196.200 g/mol
XLogP3	1.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	196.085 Da
Monoisotopic Mass	196.085 Da
Topological Polar Surface Area	61.200 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	235.000
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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