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2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde - 97%, high purity , CAS No.1001353-82-7

COA

Grade & Purity:

≥97%

Cas Number: 1001353-82-7
Molecular Weight: 216.02
PubChem CID: 57678247

In stock

Item Number

D626470

Grouped product items
SKU	Size	Availability	Price
D626470-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$242.90
D626470-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$387.90
D626470-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$646.90
D626470-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,165.90

Basic Description

Synonyms	2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde \| 1001353-82-7 \| MFCD26520677 \| SCHEMBL12314141 \| SB16253 \| SY310348 \| D96694
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolotriazines
    - Subclass Pyrrolo[2,1-f][1,2,4]triazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolotriazines
Subclass	Pyrrolo[2,1-f][1,2,4]triazines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrrolo[2,1-f][1,2,4]triazines
Alternative Parents	Aryl-aldehydes Substituted pyrroles Aryl chlorides 1,2,4-triazines Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolo[2,1-f][1,2,4]triazine - Aryl-aldehyde - Aryl chloride - Aryl halide - Substituted pyrrole - 1,2,4-triazine - Triazine - Pyrrole - Heteroaromatic compound - Azacycle - Aldehyde - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrrolo[2,1-f][1,2,4]triazines. These are aromatic heterocyclic compounds containing a pyrrolo[2,1-f][1,2,4]triazine ring system. Pyrrolo[2,1-f][1,2,4]triazine consists of a 1,2,4-triazine ring fused to and sharing the N2-atom with a pyrrole 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	2,4-dichloropyrrolo[2,1-f][1,2,4]triazine-7-carbaldehyde
INCHI	InChI=1S/C7H3Cl2N3O/c8-6-5-2-1-4(3-13)12(5)11-7(9)10-6/h1-3H
InChIKey	BPZJNMLBWODZEC-UHFFFAOYSA-N
Smiles	C1=C(N2C(=C1)C(=NC(=N2)Cl)Cl)C=O
Isomeric SMILES	C1=C(N2C(=C1)C(=NC(=N2)Cl)Cl)C=O
PubChem CID	57678247
Molecular Weight	216.02

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	216.020 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	214.965 Da
Monoisotopic Mass	214.965 Da
Topological Polar Surface Area	47.300 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	216.000
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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