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2-Bromo-5-(trifluoromethyl)pyrimidine - 95%, high purity , CAS No.69034-09-9

COA

Grade & Purity:

≥95%

Cas Number: 69034-09-9
Molecular Weight: 226.98
PubChem CID: 20292629

In stock

Item Number

B589898

Grouped product items
SKU	Size	Availability	Price
B589898-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$35.90
B589898-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$69.90
B589898-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$196.90

Basic Description

Synonyms	A903107 \| AKOS023796311 \| SY248388 \| BBL103076 \| DS-11980 \| Pyrimidine, 2-bromo-5-(trifluoromethyl)- \| TQP1259 \| DTXSID40604728 \| STL556886 \| C76181 \| SCHEMBL11403140 \| 2-bromo-5-(trifluoromethyl)pyrimidine \| MB13635 \| MFCD14702304 \| FT-0745285
Specifications & Purity	≥95%
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives
      - Level5 Halopyrimidines
        Level6 2-halopyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Halopyrimidines
Direct Parent	2-halopyrimidines
Alternative Parents	Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organofluorides Organobromides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	2-halopyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2-halopyrimidines. These are aromatic compounds containing a pyrimidine ring substituted at the 2-position with a halogen atom.
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-bromo-5-(trifluoromethyl)pyrimidine
INCHI	InChI=1S/C5H2BrF3N2/c6-4-10-1-3(2-11-4)5(7,8)9/h1-2H
InChIKey	FEAGCADVLQYESC-UHFFFAOYSA-N
Smiles	C1=C(C=NC(=N1)Br)C(F)(F)F
Isomeric SMILES	C1=C(C=NC(=N1)Br)C(F)(F)F
Alternate CAS	69034-09-9
Molecular Weight	226.98
Reaxy-Rn	13349614
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13349614&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	226.980 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	225.935 Da
Monoisotopic Mass	225.935 Da
Topological Polar Surface Area	25.800 Å²
Heavy Atom Count	11
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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