4-bromopyrimidin-2-amine - ≥97% , CAS No.343926-69-2

CAS: 343926-69-2 Cat. No.: B176192 Summenformel: C₄H₄BrN₃ Molekulargewicht: 174.001 EG-Nummer: 801-604-4

GRADE & PURITY ≥97%

Synonyms

CD-0732 | MFCD09999168 | 2-Pyrimidinamine,4-bromo- (9CI) | MINURGGJJKMQQQ-UHFFFAOYSA-N | 4-bromo-2-pyrimidinamine | 2-Amino-4-bromopyrimidine | SY065597 | FT-0648544 | 2-Pyrimidinamine, 4-bromo- (9CI) | PB13233 | SCHEMBL2174024 | AKOS005072272 | BCP22440

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

CD-0732 | MFCD09999168 | 2-Pyrimidinamine,4-bromo- (9CI) | MINURGGJJKMQQQ-UHFFFAOYSA-N | 4-bromo-2-pyrimidinamine | 2-Amino-4-bromopyrimidine | SY065597 | FT-0648544 | 2-Pyrimidinamine, 4-bromo- (9CI) | PB13233 | SCHEMBL2174024 | AKOS005072272 | BCP22440

Spezifikationen & Reinheit

≥97%

Anmeldung

It is used as a pharmaceutical intermediate. It is also an important organic intermediate used in agrochemicals, pharmaceuticals and dyestuff fields.

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528760687

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528760687

Kanonisches Lächeln

C1=CN=C(N=C1Br)N

IUPAC Name

4-bromopyrimidin-2-amine

InChIKey

MINURGGJJKMQQQ-UHFFFAOYSA-N

INCHI

1S/C4H4BrN3/c5-3-1-2-7-4(6)8-3/h1-2H,(H2,6,7,8)

Isomere SMILES

C1=CN=C(N=C1Br)N

Molekulargewicht

174.001

Reaxy-Rn

111375

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=111375&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Diazines
      • Subclass Pyrimidines and pyrimidine derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Diazines
• Subclass: Pyrimidines and pyrimidine derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Halopyrimidines
• Alternative Parents: Aminopyrimidines and derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Halopyrimidine - Aminopyrimidine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Beschreibung: 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

Data sources

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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 174.000 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 172.959 Da
• Monoisotopic Mass: 172.959 Da
• Topological Polar Surface Area: 51.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 77.700
• 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