6-(4-Chlorophenoxy)nicotinonitrile - ≥97% , CAS No.99902-70-2

CAS: 99902-70-2 Cat. No.: C334634 Summenformel: C₁₂H₇ClN₂O Molekulargewicht: 230.65

GRADE & PURITY ≥97%

Synonyms

AKOS000171664 | CCG-43458 | MFCD00221203 | 6-(4-Chlorophenoxy)nicotinonitrile | FT-0620800 | Maybridge1_008764 | SR-01000633378-1 | 3-Pyridinecarbonitrile, 6-(4-chlorophenoxy)- | DTXSID10244312 | 3Y-5009 | HMS566G08 | SCHEMBL24665295 | 6-(4-chlorophenoxy)

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

AKOS000171664 | CCG-43458 | MFCD00221203 | 6-(4-Chlorophenoxy)nicotinonitrile | FT-0620800 | Maybridge1_008764 | SR-01000633378-1 | 3-Pyridinecarbonitrile, 6-(4-chlorophenoxy)- | DTXSID10244312 | 3Y-5009 | HMS566G08 | SCHEMBL24665295 | 6-(4-chlorophenoxy)

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

488189954

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488189954

Kanonisches Lächeln

C1=CC(=CC=C1OC2=NC=C(C=C2)C#N)Cl

IUPAC Name

6-(4-chlorophenoxy)pyridine-3-carbonitrile

InChIKey

DAHIOIPBXNVSIW-UHFFFAOYSA-N

INCHI

1S/C12H7ClN2O/c13-10-2-4-11(5-3-10)16-12-6-1-9(7-14)8-15-12/h1-6,8H

Isomere SMILES

C1=CC(=CC=C1OC2=NC=C(C=C2)C#N)Cl

Molekulargewicht

230.65

Reaxy-Rn

6723249

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6723249&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Phenoxy compounds Phenol ethers 3-pyridinecarbonitriles Chlorobenzenes Aryl chlorides Heteroaromatic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diaryl ether - Phenol ether - 3-pyridinecarbonitrile - Phenoxy compound - Chlorobenzene - Halobenzene - Aryl halide - Monocyclic benzene moiety - Pyridine - Benzenoid - Aryl chloride - Heteroaromatic compound - Nitrile - Carbonitrile - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 230.650 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 230.025 Da
• Monoisotopic Mass: 230.025 Da
• Topological Polar Surface Area: 45.900 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 267.000
• 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

Häufig gestellte Fragen

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 99902-70-2, the molecular formula is C12H7ClN2O, and the molecular weight is 230.65 g/mol. InChIKey DAHIOIPBXNVSIW-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.