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3-iodo-1-tetrahydropyran-2-yl-pyrazole-4-carbaldehyde - 97%, high purity , CAS No.1627924-19-9

COA

Grade & Purity:

≥97%

Cas Number: 1627924-19-9
Molecular Weight: 306.1
PubChem CID: 90424289

In stock

Item Number

I629898

Grouped product items
SKU	Size	Availability	Price
I629898-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$125.90
I629898-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$255.90
I629898-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$426.90
I629898-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$639.90
I629898-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,201.90

Basic Description

Synonyms	MFCD29918656 \| A925463 \| DTXSID401172282 \| 3-Iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole-4-carboxaldehyde \| F50979 \| TVGOFLFNBCDVFS-UHFFFAOYSA-N \| 1627924-19-9 \| PB48727 \| 3-Iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole-4-carbaldehyde \| 3-iodo-1-(oxan-2
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	Oxanes Vinylogous halides Vinylogous amides Heteroaromatic compounds Azoles Oxacyclic compounds Hydrazones Azacyclic compounds Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl-aldehyde - Oxane - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Azole - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrazone - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen 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-iodo-1-(oxan-2-yl)pyrazole-4-carbaldehyde
INCHI	InChI=1S/C9H11IN2O2/c10-9-7(6-13)5-12(11-9)8-3-1-2-4-14-8/h5-6,8H,1-4H2
InChIKey	TVGOFLFNBCDVFS-UHFFFAOYSA-N
Smiles	C1CCOC(C1)N2C=C(C(=N2)I)C=O
Isomeric SMILES	C1CCOC(C1)N2C=C(C(=N2)I)C=O
Alternate CAS	1627924-19-9
PubChem CID	90424289
Molecular Weight	306.1

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	306.100 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	305.987 Da
Monoisotopic Mass	305.987 Da
Topological Polar Surface Area	44.100 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	215.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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