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2-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde - 97%, high purity , CAS No.1367868-00-5

COA

Grade & Purity:

≥97%

Cas Number: 1367868-00-5
Molecular Weight: 181.58
PubChem CID: 74787585

In stock

Item Number

C635580

Grouped product items
SKU	Size	Availability	Price	Qty
C635580-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$350.90
C635580-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,747.90

Basic Description

Synonyms	1367868-00-5 \| 2-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde \| 2-Chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carboxaldehyde \| SCHEMBL23725349 \| MFCD22064589 \| SB14083 \| AS-51596 \| P13050
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolopyrimidines
    - Subclass Pyrrolo[2,3-d]pyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolopyrimidines
Subclass	Pyrrolo[2,3-d]pyrimidines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolo[2,3-d]pyrimidines
Alternative Parents	Aryl-aldehydes 2-halopyrimidines Substituted pyrroles Aryl chlorides Vinylogous amides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolo[2,3-d]pyrimidine - 2-halopyrimidine - Halopyrimidine - Aryl-aldehyde - Aryl chloride - Aryl halide - Pyrimidine - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Pyrrole - Azacycle - Aldehyde - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.
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	2-chloro-7H-pyrrolo[2,3-d]pyrimidine-5-carbaldehyde
INCHI	InChI=1S/C7H4ClN3O/c8-7-10-2-5-4(3-12)1-9-6(5)11-7/h1-3H,(H,9,10,11)
InChIKey	YCDSHMBDFBSDIU-UHFFFAOYSA-N
Smiles	C1=C(C2=CN=C(N=C2N1)Cl)C=O
Isomeric SMILES	C1=C(C2=CN=C(N=C2N1)Cl)C=O
PubChem CID	74787585
Molecular Weight	181.58

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	181.580 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	181.004 Da
Monoisotopic Mass	181.004 Da
Topological Polar Surface Area	58.600 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	189.000
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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