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5-bromopyrrolo[2,1-f][1,2,4]triazine - 97%, high purity , CAS No.1363381-36-5

COA

Grade & Purity:

≥97%

Cas Number: 1363381-36-5
Molecular Weight: 198.02
MDL number: MFCD22059324
PubChem CID: 72207717

In stock

Item Number

B628588

Grouped product items
SKU	Size	Availability	Price
B628588-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$242.90
B628588-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$387.90
B628588-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$646.90
B628588-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,165.90

Basic Description

Synonyms	SB20339 \| P13049 \| 1363381-36-5 \| DTXSID101279269 \| AKOS022695548 \| MFCD22059324 \| PS-17362 \| Pyrrolo[2,1-f][1,2,4]triazine, 5-bromo- \| 5-BROMO-PYRROLO[2,1-F][1,2,4]TRIAZINE \| 5-BROMOPYRROLO[2,1-F][1,2,4]TRIAZINE \| SCHEMBL14485538 \| PB35477
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	Substituted pyrroles Aryl bromides 1,2,4-triazines Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrrolo[2,1-f][1,2,4]triazine - 1,2,4-triazine - Triazine - Substituted pyrrole - Aryl halide - Aryl bromide - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen 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	5-bromopyrrolo[2,1-f][1,2,4]triazine
INCHI	InChI=1S/C6H4BrN3/c7-5-1-2-10-6(5)3-8-4-9-10/h1-4H
InChIKey	UHGYITTVLZNRNT-UHFFFAOYSA-N
Smiles	C1=CN2C(=C1Br)C=NC=N2
Isomeric SMILES	C1=CN2C(=C1Br)C=NC=N2
Alternate CAS	1363381-36-5
PubChem CID	72207717
Molecular Weight	198.02

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	198.020 g/mol
XLogP3	1.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	196.959 Da
Monoisotopic Mass	196.959 Da
Topological Polar Surface Area	30.200 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	130.000
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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