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

CAS: 104-90-5 Cat. No.: E101695 Molecular Weight: 121.18 Beilstein Registry Number: 109269 EC Number: 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

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

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

FedEx DG Service

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: CCC1=CN=C(C=C1)C
• WGK Germany: 3
• RTECS: TJ6825000
• UN Number: 2300
• Packing Group: III
• Molecular Weight: 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
    • Class Pyridines and derivatives
      • Subclass Methylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in water, soluble in ethanol, ether, benzene, and dilute acids.
• Sensitivity: Air Sensitive,Hygroscopic
• Refractive Index: 1.4970 to 1.4990
• Flash Point(°F): 158 °F
• Flash Point(°C): 70 °C
• Boil Point(°C): 178°C
• Melt Point(°C): -70 °C
• Molecular Weight: 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