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2,4-Dibromoquinazoline - 95%, high purity , CAS No.872998-61-3

COA

Grade & Purity:

≥95%

Cas Number: 872998-61-3
Molecular Weight: 287.9
PubChem CID: 11652183

In stock

Item Number

D187409

Grouped product items
SKU	Size	Availability	Price	Qty
D187409-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$152.90
D187409-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$542.90

Basic Description

Synonyms	2,4-dibromoquinazoline \| 872998-61-3 \| SCHEMBL933715 \| DTXSID30470070 \| CDBAGRHVFMGOON-UHFFFAOYSA-N \| MFCD09909697 \| AKOS015835765 \| DS-0325 \| ISOXAZOLE-4-CARBOTHIOICACIDAMIDE \| MB08185 \| CS-0019340 \| FT-0646631 \| A862687
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazanaphthalenes
    - Subclass Benzodiazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazanaphthalenes
Subclass	Benzodiazines
Intermediate Tree Nodes	Not available
Direct Parent	Quinazolines
Alternative Parents	2-halopyrimidines Benzenoids Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Quinazoline - 2-halopyrimidine - Halopyrimidine - Benzenoid - Pyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - 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 quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine 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-dibromoquinazoline
INCHI	InChI=1S/C8H4Br2N2/c9-7-5-3-1-2-4-6(5)11-8(10)12-7/h1-4H
InChIKey	CDBAGRHVFMGOON-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=NC(=N2)Br)Br
Isomeric SMILES	C1=CC=C2C(=C1)C(=NC(=N2)Br)Br
Molecular Weight	287.9
Reaxy-Rn	10336014
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10336014&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	287.940 g/mol
XLogP3	3.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	287.872 Da
Monoisotopic Mass	285.874 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	165.000
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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