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5-Bromopyrimidin-2-ol - 98%, high purity , CAS No.214290-49-0

COA

Grade & Purity:

≥98%

Cas Number: 214290-49-0
Molecular Weight: 174.98
EC Number: 253-896-2,807-836-2
PubChem CID: 101494

In stock

Item Number

B588126

Grouped product items
SKU	Size	Availability	Price
B588126-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
B588126-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$59.90
B588126-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$185.90

Basic Description

Synonyms	DTXCID9023881 \| PS-6091 \| SCHEMBL146602 \| EINECS 253-896-2 \| STL555014 \| 2-Pyrimidinol, 5-bromo- \| 5-Bromo-2-pyrimidinone \| AKOS005206967 \| BCP14390 \| A815346 \| 10.14272/VTUDATOSQGYWML-UHFFFAOYSA-N.1 \| 5-Bromo-1,2-dihydro-2-oxopyrimidine \| 5-Bromo-2-pyrim
Specifications & Purity	≥98%
Storage Temp	Room temperature,Argon charged,Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Halopyrimidines
Alternative Parents	Pyrimidones Hydropyrimidines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Halopyrimidine - Pyrimidone - Aryl bromide - Aryl halide - Hydropyrimidine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as halopyrimidines. These are aromatic compounds containing a halogen atom linked to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring 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	5-bromo-1H-pyrimidin-2-one
INCHI	InChI=1S/C4H3BrN2O/c5-3-1-6-4(8)7-2-3/h1-2H,(H,6,7,8)
InChIKey	VTUDATOSQGYWML-UHFFFAOYSA-N
Smiles	C1=C(C=NC(=O)N1)Br
Isomeric SMILES	C1=C(C=NC(=O)N1)Br
Alternate CAS	214290-49-0,38353-06-9
NSC Number	528730
MeSH Entry Terms	5-bromo-2-pyrimidinone
Molecular Weight	174.98
Reaxy-Rn	112327
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=112327&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Molecular Weight	174.980 g/mol
XLogP3	0.200
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	173.943 Da
Monoisotopic Mass	173.943 Da
Topological Polar Surface Area	41.500 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	173.000
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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