2-ブロモ-5-ニトロピリミジン - ≥97% , CAS No.1210824-80-8

CAS: 1210824-80-8 Cat. No.: B190104 分子式: C₄H₂BrN₃O₂ 分子量: 203.98

グレード＆純度 ≥97%

Synonyms

DS-11217 | SCHEMBL10113803 | 2-bromanyl-5-nitro-pyrimidine | 2-Bromo-5-nitropyrimidine | A831122 | 1210824-80-8 | MFCD07778612 | J-508414 | AKOS015919868 | SB60665 | DTXSID90660056 | A891961

Storage

Store at 2-8°C,Argon charged,Desiccated

Shipped In

ノーマル

仕様

同義語

DS-11217 | SCHEMBL10113803 | 2-bromanyl-5-nitro-pyrimidine | 2-Bromo-5-nitropyrimidine | A831122 | 1210824-80-8 | MFCD07778612 | J-508414 | AKOS015919868 | SB60665 | DTXSID90660056 | A891961

仕様と純度

≥97%

保管条件

Store at 2-8°C,Argon charged,Desiccated

入荷

ノーマル

純度

≥97%

名前と識別子

カノニカル・スマイル

C1=C(C=NC(=N1)Br)[N+](=O)[O-]

IUPAC Name

2-bromo-5-nitropyrimidine

InChIKey

LTZZMWXCPNGVNJ-UHFFFAOYSA-N

INCHI

1S/C4H2BrN3O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H

異性体SMILES

C1=C(C=NC(=N1)Br)[N+](=O)[O-]

分子量

203.98

Reaxy-Rn

38856572

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=38856572&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic 1,3-dipolar compounds
    • 分類 Allyl-type 1,3-dipolar organic compounds
      • Subclass Organic nitro compounds
        • Level5 C-nitro compounds
          • Level6 Nitroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organic 1,3-dipolar compounds
• 分類: Allyl-type 1,3-dipolar organic compounds
• Subclass: Organic nitro compounds
• Intermediate Tree Nodes: C-nitro compounds
• Direct Parent: Nitroaromatic compounds
• Alternative Parents: 2-halopyrimidines Aryl bromides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic salts Organic oxides Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Nitroaromatic compound - 2-halopyrimidine - Halopyrimidine - Aryl bromide - Aryl halide - Pyrimidine - Heteroaromatic compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as nitroaromatic compounds. These are c-nitro compounds where the nitro group is C-substituted with an aromatic group.
• 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

化学的性質と物理的性質

• 分子量: 203.980 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 202.933 Da
• Monoisotopic Mass: 202.933 Da
• Topological Polar Surface Area: 71.600 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 129.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C, desiccated, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1210824-80-8, the molecular formula is C4H2BrN3O2, and the molecular weight is 203.98 g/mol. InChIKey LTZZMWXCPNGVNJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.