Anisole - AR, ≥99% , CAS No.100-66-3

CAS: 100-66-3 Cat. No.: A103683 Summenformel: C₇H₈O Molekulargewicht: 108.14 Beilstein Registry Number: 506892 EG-Nummer: 202-876-1

QUALITÄT & REINHEIT AR, ≥99%

Synonyms

Methoxybenzene|Methyl Phenyl Ether

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Übersicht

A biochemical for proteomics research.

Spezifikationen

Synonyme

Methoxybenzene | Methyl Phenyl Ether

Spezifikationen & Reinheit

AR, ≥99%

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Verschickt in

FedEx DG Service

Note

AR

Reinheit

≥99%

Namen und Kennungen

Pubchem Sid

508816438

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508816438

Kanonisches Lächeln

COC1=CC=CC=C1

IUPAC Name

anisole

InChIKey

RDOXTESZEPMUJZ-UHFFFAOYSA-N

INCHI

1S/C7H8O/c1-8-7-5-3-2-4-6-7/h2-6H,1H3

Isomere SMILES

COC1=CC=CC=C1

WGK Deutschland

2

UN-Nummer

2222

Verpackungsgruppe

III

Molekulargewicht

108.14

Beilstein

506892

Reaxy-Rn

506892

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506892&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Methoxybenzene - Anisole - Alkyl aryl ether - Monocyclic benzene moiety - Ether - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• External Descriptors: a small molecule

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

Zugehörige Ziele (menschlich)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

Discover Target: ESR1

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

CA6 Tclin Carbonic anhydrase VI (993 Activities)

Discover Target: CA6

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

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

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

Zugehörige Ziele (nicht menschlich)

CA4 Carbonic anhydrase IV (1713 Activities)

Discover Target: CA4

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with methanol and acetone. Immiscible with water.
• Empfindlichkeit: Light & Moisture sensitive.
• Flammpunkt (°F): 109℉
• Flammpunkt (°C): 43°C
• Siedepunkt (°C): 154°C
• Schmelzpunkt (°C): -37 °C
• Molekulargewicht: 108.140 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 108.058 Da
• Monoisotopic Mass: 108.058 Da
• Topological Polar Surface Area: 9.200 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 55.400
• 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