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5-chloro-1-methyl-pyrazole-4-carbaldehyde - 97%, high purity , CAS No.117007-77-9

COA

Grade & Purity:

≥97%

Cas Number: 117007-77-9
Molecular Weight: 144.55
PubChem CID: 15145019

In stock

Item Number

C682292

Grouped product items
SKU	Size	Availability	Price	Qty
C682292-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$172.90
C682292-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$850.90

Basic Description

Specifications & Purity	≥97%
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 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	Aryl chlorides Vinylogous halides Vinylogous amides Pyrazoles Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl-aldehyde - Aryl chloride - Aryl halide - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Vinylogous halide - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen 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	5-chloro-1-methylpyrazole-4-carbaldehyde
INCHI	InChI=1S/C5H5ClN2O/c1-8-5(6)4(3-9)2-7-8/h2-3H,1H3
InChIKey	BRTDPKPJDXNQEX-UHFFFAOYSA-N
Smiles	CN1C(=C(C=N1)C=O)Cl
Isomeric SMILES	CN1C(=C(C=N1)C=O)Cl
PubChem CID	15145019
Molecular Weight	144.55

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	144.560 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	144.009 Da
Monoisotopic Mass	144.009 Da
Topological Polar Surface Area	34.900 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	120.000
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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