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2，5-dichloro-N-(4-fluorophenyl)pyrimidin-4-amine - ≥97%, high purity , CAS No.280582-13-0

COA

Grade & Purity:

≥97%

Cas Number: 280582-13-0
Molecular Weight: 258.0791
MDL number: MFCD23737482
PubChem CID: 79633390

In stock

Item Number

D769611

Grouped product items
SKU	Size	Availability	Price
D769611-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$312.90
D769611-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$554.90
D769611-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,372.90

Basic Description

Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Aniline and substituted anilines

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Aniline and substituted anilines
Intermediate Tree Nodes	Not available
Direct Parent	Aniline and substituted anilines
Alternative Parents	Fluorobenzenes Aminopyrimidines and derivatives 2-halopyrimidines Imidolactams Aryl fluorides Aryl chlorides Heteroaromatic compounds Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives Amines
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aniline or substituted anilines - Aminopyrimidine - 2-halopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - Aryl chloride - Aryl fluoride - Aryl halide - Pyrimidine - Imidolactam - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organofluoride - Organonitrogen compound - Amine - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
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

INCHI	InChI=1S/C10H6Cl2FN3/c11-8-5-14-10(12)16-9(8)15-7-3-1-6(13)2-4-7/h1-5H,(H,14,15,16)
InChIKey	XBRSOMKUVTXYSJ-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1NC2=NC(=NC=C2Cl)Cl)F
Isomeric SMILES	C1=CC(=CC=C1NC2=NC(=NC=C2Cl)Cl)F
Molecular Weight	258.0791

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

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

Analytical Chart:

Chemical and Physical Properties

Boil Point(°C)	397.1±37.0°C(Predicted)
Molecular Weight	258.079 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	256.992 Da
Monoisotopic Mass	256.992 Da
Topological Polar Surface Area	37.800 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	224.000
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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