2,5-디브로모노티노니트릴 - ≥97% , CAS No.1214340-41-6

CAS: 1214340-41-6 Cat. No.: D733129 분자식: C₆H₂Br₂N₂ 분자량: 261.90

등급 & 순도 ≥97%

Synonyms

2,5-Dibromo-3-pyridinecarbonitrile

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

사양

동의어

2,5-Dibromo-3-pyridinecarbonitrile

사양 및 순도

≥97%

보관 조건

Store at 2-8°C,Protected from light,Argon charged

배송

Wet ice

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순수함

≥97%

제품 특성

ALogP

2.3

이름과 식별자

정식 스마일

C1=C(C=NC(=C1C#N)Br)Br

IUPAC Name

2,5-dibromopyridine-3-carbonitrile

InChIKey

LWRPXLRIRYXURL-UHFFFAOYSA-N

INCHI

1S/C6H2Br2N2/c7-5-1-4(2-9)6(8)10-3-5/h1,3H

이성체 SMILES

C1=C(C=NC(=C1C#N)Br)Br

분자량

261.90

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Pyridines and derivatives
      • Subclass 3-pyridinecarbonitriles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Pyridines and derivatives
• Subclass: 3-pyridinecarbonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-pyridinecarbonitriles
• Alternative Parents: Polyhalopyridines 2-halopyridines Aryl bromides Heteroaromatic compounds Nitriles Azacyclic compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 3-pyridinecarbonitrile - 2-halopyridine - Aryl bromide - Aryl halide - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Organobromide - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Cyanide - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as 3-pyridinecarbonitriles. These are organic compounds containing a pyridine ring substituted at the 3-position by a carbonitrile 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

화학 및 물리적 특성

• 감도: light sensitive
• 분자량: 261.899 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 261.856 Da
• Monoisotopic Mass: 259.858 Da
• Topological Polar Surface Area: 36.700 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 162.000
• 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

자주 묻는 질문

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, protected from light, 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 1214340-41-6, the molecular formula is C6H2Br2N2, and the molecular weight is 261.90 g/mol. InChIKey LWRPXLRIRYXURL-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.