3-Bromopyrazole - ≥97% , CAS No.14521-80-3

CAS: 14521-80-3 Cat. No.: B132639 分子式: C₃H₃BrN₂ 分子量: 146.97 EC番号: 687-430-8

グレード＆純度 ≥97%

Synonyms

3-Bromopyrazole | 3-Bromo-pyrazole | AM20080342 | STL412459 | 5-bromopyrazole | A910465 | 3-BROMO-2H-PYRAZOLE | BP-21207 | FT-0646915 | 5-Bromo-1H-pyrazole | 1H-Pyrazole, 3-bromo- | AKOS002658320 | 3-bromo-1H-pyrazole | AC-907/30002001 | AKOS005068311 | W

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

仕様

同義語

3-Bromopyrazole | 3-Bromo-pyrazole | AM20080342 | STL412459 | 5-bromopyrazole | A910465 | 3-BROMO-2H-PYRAZOLE | BP-21207 | FT-0646915 | 5-Bromo-1H-pyrazole | 1H-Pyrazole, 3-bromo- | AKOS002658320 | 3-bromo-1H-pyrazole | AC-907/30002001 | AKOS005068311 | W

仕様と純度

≥97%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥97%

名前と識別子

パブケム・シド

504760409

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504760409

カノニカル・スマイル

C1=C(NN=C1)Br

IUPAC Name

5-bromo-1H-pyrazole

InChIKey

XHZWFUVEKDDQPF-UHFFFAOYSA-N

INCHI

1S/C3H3BrN2/c4-3-1-2-5-6-3/h1-2H,(H,5,6)

異性体SMILES

C1=C(NN=C1)Br

WGKドイツ

1

分子量

146.97

Reaxy-Rn

4954143

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4954143&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 分類 Aryl halides
      • Subclass Aryl bromides

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 分類: Aryl halides
• Subclass: Aryl bromides
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl bromides
• Alternative Parents: Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl bromide - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as aryl bromides. These are organic compounds containing the acyl bromide functional 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

• 融点（°C）: 60-65°C
• 分子量: 146.970 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 145.948 Da
• Monoisotopic Mass: 145.948 Da
• Topological Polar Surface Area: 28.700 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 48.100
• 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 ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. 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 14521-80-3, the molecular formula is C3H3BrN2, and the molecular weight is 146.97 g/mol. InChIKey XHZWFUVEKDDQPF-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.