2-Ethyltoluène - ≥98% , CAS No.611-14-3

CAS: 611-14-3 Cat. No.: E140581 Formule: C₉H₁₂ Poids moléculaire: 120.19 Beilstein Registry Number: 1851237 Numéro CE: 210-255-1

QUALITÉ & PURETÉ ≥98%

Synonyms

o-Ethyl methyl benzene | NSC 405731 | O-ETHYLTOLUENE | A8492 | DS-2369 | 1,2-methylethylbenzene | 2-ethyl-1-methylbenzene | DTXCID5029477 | Toluene, o-ethyl- | 2-Ethyltoluene, 99% | Ethyltoluene | UNII-DBX00873SV | AC-6953 | AM20040851 | BDBM50167949 | Et

Storage

Store at 2-8°C

Shipped In

Wet ice

Vue d’ensemble

2-Ethyltoluene, est utilisé pour prédire de nouveaux composés principaux pour la découverte de médicaments qui dépendent de la qualité de la fonction de notation de l'amarrage.

Spécifications

Synonymes

o-Ethyl methyl benzene | NSC 405731 | O-ETHYLTOLUENE | A8492 | DS-2369 | 1,2-methylethylbenzene | 2-ethyl-1-methylbenzene | DTXCID5029477 | Toluene, o-ethyl- | 2-Ethyltoluene, 99% | Ethyltoluene | UNII-DBX00873SV | AC-6953 | AM20040851 | BDBM50167949 | Et

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488181470

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181470

Sourires canoniques

CCC1=CC=CC=C1C

IUPAC Name

1-ethyl-2-methylbenzene

InChIKey

HYFLWBNQFMXCPA-UHFFFAOYSA-N

INCHI

1S/C9H12/c1-3-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3

Isomères SMILES

CCC1=CC=CC=C1C

WGK Allemagne

3

RTECS

XT2500000

Numéro ONU

3295

Groupe d'emballage

I

Poids moléculaire

120.19

Beilstein

1851237

Reaxy-Rn

1851237

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1851237&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Toluenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Toluenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Toluenes
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Toluene - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as toluenes. These are compounds containing a benzene ring which bears a methane group.
• External Descriptors: toluenes

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water (74.6 mg/L (25°C)).
• Indice de réfraction: 1.504
• Point d'éclair (°F): 127.4 °F
• Point d'éclair (°C): 53 °C
• Point d'ébullition (°C): 166°C
• Point de fusion (°C): -17°C
• Poids moléculaire: 120.190 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 120.094 Da
• Monoisotopic Mass: 120.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 76.100
• 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