3-Iodo-2-methoxypyridine - ≥97% , CAS No.112197-15-6

CAS: 112197-15-6 Cat. No.: l102600 Molecular Weight: 235.02 EC Number: 622-890-5 PubChem CID: 7009497

GRADE & PURITY ≥97%

Synonyms

SY022129 | EN300-206758 | AM20061704 | DTXSID90426558 | FT-0648283 | AC-5401 | AB13400 | MFCD03094946 | PYRIDINE, 3-IODO-2-METHOXY- | SCHEMBL760839 | 3-Iodo-2-methoxypyridine, 97% | BXCHJERCAUZLOE-UHFFFAOYSA-N | I0924 | AKOS015854001 | W-204774 | DS-10715

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

SY022129 | EN300-206758 | AM20061704 | DTXSID90426558 | FT-0648283 | AC-5401 | AB13400 | MFCD03094946 | PYRIDINE, 3-IODO-2-METHOXY- | SCHEMBL760839 | 3-Iodo-2-methoxypyridine, 97% | BXCHJERCAUZLOE-UHFFFAOYSA-N | I0924 | AKOS015854001 | W-204774 | DS-10715

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 508809063
• Canonical Smiles: COC1=C(C=CC=N1)I
• IUPAC Name: 3-iodo-2-methoxypyridine
• InChIKey: BXCHJERCAUZLOE-UHFFFAOYSA-N
• INCHI: 1S/C6H6INO/c1-9-6-5(7)3-2-4-8-6/h2-4H,1H3
• Isomeric SMILES: COC1=C(C=CC=N1)I
• WGK Germany: 3
• PubChem CID: 7009497
• Molecular Weight: 235.02
• Reaxy-Rn: 5248260

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Pyridines and derivatives Aryl iodides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl aryl ether - Pyridine - Aryl iodide - Aryl halide - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organoiodide - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl 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

Chemical and Physical Properties

• Sensitivity: Light, heat and moisture sensitive.
• Refractive Index: 1.618
• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Boil Point(°C): 85 °C/3 mmHg
• Molecular Weight: 235.020 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 234.949 Da
• Monoisotopic Mass: 234.949 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 89.100
• 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