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1-(difluoromethyl)-1H-pyrazole-4-carboxylic acid - 97%, high purity , CAS No.1174305-81-7

COA

Grade & Purity:

≥97%

Cas Number: 1174305-81-7
Molecular Weight: 162.1
EC Number: 838-317-9
MDL number: MFCD11558118
PubChem CID: 33781818

In stock

Item Number

H627121

Grouped product items
SKU	Size	Availability	Price
H627121-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$126.90
H627121-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$201.90
H627121-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$336.90
H627121-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$504.90
H627121-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,526.90

Basic Description

Synonyms	A1-06242 \| SCHEMBL12496800 \| ZWB30581 \| 1174305-81-7 \| MFCD11558118 \| F8880-2854 \| 1-(difluoromethyl)-1H-pyrazole-4-carboxylic acid \| AKOS005169485 \| EN300-92468 \| Z1041196404 \| 1-(difluoromethyl)-1H-pyrazole-4-carboxylicacid \| 1-(2,2-Difluoromethyl)-1H-p
Specifications & Purity	≥97%
Shipped In	Normal

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	Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyrazole-4-carboxylic acid or derivatives - Vinylogous amide - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxide - 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

IUPAC Name	1-(difluoromethyl)pyrazole-4-carboxylic acid
INCHI	InChI=1S/C5H4F2N2O2/c6-5(7)9-2-3(1-8-9)4(10)11/h1-2,5H,(H,10,11)
InChIKey	IULWOQYXUCMXJG-UHFFFAOYSA-N
Smiles	C1=C(C=NN1C(F)F)C(=O)O
Isomeric SMILES	C1=C(C=NN1C(F)F)C(=O)O
Alternate CAS	1174305-81-7
PubChem CID	33781818
Molecular Weight	162.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	162.090 g/mol
XLogP3	0.600
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	162.024 Da
Monoisotopic Mass	162.024 Da
Topological Polar Surface Area	55.100 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	165.000
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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