Anisole - AR, ≥99% , CAS No.100-66-3

CAS: 100-66-3 Cat. No.: A103683 Formula: C₇H₈O Peso molecolare: 108.14 Beilstein Registry Number: 506892 Numero EC: 202-876-1

QUALITÀ & PUREZZA AR, ≥99%

Synonyms

Methoxybenzene|Methyl Phenyl Ether

Storage

Protected from light,Room temperature,Argon charged,Desiccated

Shipped In

FedEx DG Service

Panoramica

A biochemical for proteomics research.

Specifiche

Sinonimi

Methoxybenzene | Methyl Phenyl Ether

Specifiche e purezza

AR, ≥99%

Condizioni di conservazione di stoccaggio

Protected from light,Room temperature,Argon charged,Desiccated

Spedito in

FedEx DG Service

Grado

AR

Purezza

≥99%

Nomi e identificatori

Pubchem Sid

508816438

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

COC1=CC=CC=C1

WGK Germania

2

Numero UN

2222

Gruppo di imballaggio

III

Peso molecolare

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
    • Classe Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Obiettivi associati (non umani)

CA4 Carbonic anhydrase IV (1713 Activities)

Discover Target: CA4

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Miscible with methanol and acetone. Immiscible with water.
• Sensibilità: Light & Moisture sensitive.
• Punto di infiammabilità (°F): 109℉
• Punto di infiammabilità (°C): 43°C
• Punto di ebollizione (°C): 154°C
• Punto di fusione (°C): -37 °C
• Peso molecolare: 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