5-Ethyl-2-picoline - ≥97% , CAS No.104-90-5

CAS: 104-90-5 Cat. No.: E101695 Formule: C₈H₁₁N Poids moléculaire: 121.18 Beilstein Registry Number: 109269 Numéro CE: 203-250-0

GRADE & PURITY ≥97%

Synonyms

FT-0620374 | Tox21_303710 | UN 2300 | 5-Ethyl-2-methylpyridine, Lonza quality, >=96.0% (GC) | D88165 | UNII-WG205CGK3Y | 5-Ethyl-2-methyl pyridine | WLN: T6NJ B1 E2 | Q-200539 | 2-METHYL-5-ETHYLPYRIDINE | Q27292618 | AI3-19225 | NSC1984 | NSC-1984 | 2-Met

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Synonymes

FT-0620374 | Tox21_303710 | UN 2300 | 5-Ethyl-2-methylpyridine, Lonza quality, >=96.0% (GC) | D88165 | UNII-WG205CGK3Y | 5-Ethyl-2-methyl pyridine | WLN: T6NJ B1 E2 | Q-200539 | 2-METHYL-5-ETHYLPYRIDINE | Q27292618 | AI3-19225 | NSC1984 | NSC-1984 | 2-Met

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature,Argon charged

Expédié en

FedEx DG Service

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 508809836
• Sourires canoniques: CCC1=CN=C(C=C1)C
• IUPAC Name: 5-ethyl-2-methylpyridine
• InChIKey: NTSLROIKFLNUIJ-UHFFFAOYSA-N
• INCHI: 1S/C8H11N/c1-3-8-5-4-7(2)9-6-8/h4-6H,3H2,1-2H3
• Isomères SMILES: CCC1=CN=C(C=C1)C
• WGK Allemagne: 3
• RTECS: TJ6825000
• Numéro ONU: 2300
• Groupe d'emballage: III
• Poids moléculaire: 121.18
• Beilstein: 109269
• Reaxy-Rn: 109269
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109269&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Methylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Methylpyridines
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Methylpyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.
• 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water, soluble in ethanol, ether, benzene, and dilute acids.
• Sensibilité: Air Sensitive,Hygroscopic
• Indice de réfraction: 1.4970 to 1.4990
• Point d'éclair (°F): 158 °F
• Point d'éclair (°C): 70 °C
• Point d'ébullition (°C): 178°C
• Point de fusion (°C): -70 °C
• Poids moléculaire: 121.180 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 121.089 Da
• Monoisotopic Mass: 121.089 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 80.600
• 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