(2-Cyanophenoxy)acetic acid - ≥98% , CAS No.6574-95-4

CAS: 6574-95-4 Cat. No.: C185860 Summenformel: C₉H₇NO₃ Molekulargewicht: 177.16 EG-Nummer: 675-283-2

QUALITÄT & REINHEIT ≥98%

Synonyms

(2-cyanophenoxy)acetic acid|(2-Cyano-phenoxy)-acetic acid|2-cyanophenoxyacetic acid|(2-Cyanophenoxy)aceticAcid|Acetic acid, (2-cyanophenoxy)-|4-(methylsulfamoyl)benzoate|2-(2-cyanophenoxy)acetic acid

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Spezifikationen

Synonyme

(2-cyanophenoxy)acetic acid | (2-Cyano-phenoxy)-acetic acid | 2-cyanophenoxyacetic acid | (2-Cyanophenoxy)aceticAcid | Acetic acid, (2-cyanophenoxy)- | 4-(methylsulfamoyl)benzoate | 2-(2-cyanophenoxy)acetic acid

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Protected from light

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528752861

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528752861

Kanonisches Lächeln

C1=CC=C(C(=C1)C#N)OCC(=O)O

IUPAC Name

2-(2-cyanophenoxy)acetic acid

InChIKey

FNJPHLBTJIHHPG-UHFFFAOYSA-N

INCHI

1S/C9H7NO3/c10-5-7-3-1-2-4-8(7)13-6-9(11)12/h1-4H,6H2,(H,11,12)

Isomere SMILES

C1=CC=C(C(=C1)C#N)OCC(=O)O

Molekulargewicht

177.16

Reaxy-Rn

2104186

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2104186&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Benzene and substituted derivatives
      • Subclass Phenoxyacetic acid derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Phenoxyacetic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenoxyacetic acid derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Benzonitriles Alkyl aryl ethers Nitriles Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxyacetate - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenoxyacetic acid derivatives. These are compounds containing an anisole where the methane group is linked to an acetic acid or a derivative.
• 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: light & Moisture sensitive
• Molekulargewicht: 177.160 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 177.043 Da
• Monoisotopic Mass: 177.043 Da
• Topological Polar Surface Area: 70.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 230.000
• 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