4-Bromo-2-cyanopyridine - ≥97% , CAS No.62150-45-2

CAS: 62150-45-2 Cat. No.: B136977 Formula: C₆H₃BrN₂ Peso molecolare: 183.01 Numero EC: 688-035-3

QUALITÀ & PUREZZA ≥97%

Synonyms

SCHEMBL504885 | AC-9582 | MFCD04065805 | J-400564 | 4-BROMO-2-PYRIDINECARBONITRILE | BCP27215 | DTXSID40351205 | 4-bromopicolinonitrile | BBL102529 | PS-3946 | 2-Pyridinecarbonitrile, 4-bromo- | AM20061382 | EN300-102445 | 4-BROMO-PYRIDINE-2-CARBONITRILE

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

SCHEMBL504885 | AC-9582 | MFCD04065805 | J-400564 | 4-BROMO-2-PYRIDINECARBONITRILE | BCP27215 | DTXSID40351205 | 4-bromopicolinonitrile | BBL102529 | PS-3946 | 2-Pyridinecarbonitrile, 4-bromo- | AM20061382 | EN300-102445 | 4-BROMO-PYRIDINE-2-CARBONITRILE

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504759911

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504759911

Sorrisi canonici

C1=CN=C(C=C1Br)C#N

IUPAC Name

4-bromopyridine-2-carbonitrile

InChIKey

CZXDCTUSFIKLIJ-UHFFFAOYSA-N

INCHI

1S/C6H3BrN2/c7-5-1-2-9-6(3-5)4-8/h1-3H

Isomeri SMILES

C1=CN=C(C=C1Br)C#N

Peso molecolare

183.01

Reaxy-Rn

386377

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386377&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• 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

Obiettivi associati (non umani)

Pseudomonas aeruginosa (123386 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 87-91°
• Peso molecolare: 183.010 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 181.948 Da
• Monoisotopic Mass: 181.948 Da
• Topological Polar Surface Area: 36.700 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 137.000
• 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

Domande frequenti

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 room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 62150-45-2, the molecular formula is C6H3BrN2, and the molecular weight is 183.01 g/mol. InChIKey CZXDCTUSFIKLIJ-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.