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3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde - 97%, high purity , CAS No.1094484-55-5

COA

Grade & Purity:

≥97%

Cas Number: 1094484-55-5
Molecular Weight: 160.12
EC Number: 866-550-6
PubChem CID: 53302064

In stock

Item Number

M626843

Grouped product items
SKU	Size	Availability	Price
M626843-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$290.90
M626843-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$874.90
M626843-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,365.90

Basic Description

Synonyms	AMY12087 \| SY198364 \| 1094484-55-5 \| SCHEMBL1586647 \| J-005573 \| Z1255447375 \| 3-(DIFLUOROMETHYL)-4-FORMYL-1-METHYL-1H-PYRAZOLE \| EN300-219318 \| 3-Difluoromethyl-1-methyl-1H-pyrazole-4-carbaldehyde \| 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carbaldehyde
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic oxygen compounds
  - Class Organooxygen compounds
    - Subclass Carbonyl compounds
      - Level5 Aldehydes
        Level6 Aryl-aldehydes

Kingdom	Organic compounds
Superclass	Organic oxygen compounds
Class	Organooxygen compounds
Subclass	Carbonyl compounds
Intermediate Tree Nodes	Aldehydes
Direct Parent	Aryl-aldehydes
Alternative Parents	Vinylogous amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl-aldehyde - Azole - Pyrazole - Vinylogous amide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Alkyl halide - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aryl-aldehydes. These are compounds containing an aldehyde group directly attached to an aromatic ring.
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	3-(difluoromethyl)-1-methylpyrazole-4-carbaldehyde
INCHI	InChI=1S/C6H6F2N2O/c1-10-2-4(3-11)5(9-10)6(7)8/h2-3,6H,1H3
InChIKey	NNHXBZAWJIBFFE-UHFFFAOYSA-N
Smiles	CN1C=C(C(=N1)C(F)F)C=O
Isomeric SMILES	CN1C=C(C(=N1)C(F)F)C=O
Alternate CAS	1094484-55-5
PubChem CID	53302064
Molecular Weight	160.12

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	160.120 g/mol
XLogP3	0.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	160.045 Da
Monoisotopic Mass	160.045 Da
Topological Polar Surface Area	34.900 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	154.000
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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