Tetrahydro-2H-pyran-4-carbonyl chloride - ≥98% , CAS No.40191-32-0

CAS: 40191-32-0 Cat. No.: T170160 Molecular Weight: 148.59 EC Number: 638-969-2 PubChem CID: 2795505

GRADE & PURITY ≥98%

Synonyms

DTXSID60383725 | F12379 | tetrahydro-2H-pyran-4-carbonylchloride | EN300-44905 | SY017904 | Tetrahydro-2H-pyran-4-carbonyl chloride | Q-101923 | T3890 | InChI=1/C6H9ClO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H | tetrahydropyran-4-carboxylic chloride | AS-19806 | FT

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

DTXSID60383725 | F12379 | tetrahydro-2H-pyran-4-carbonylchloride | EN300-44905 | SY017904 | Tetrahydro-2H-pyran-4-carbonyl chloride | Q-101923 | T3890 | InChI=1/C6H9ClO2/c7-6(8)5-1-3-9-4-2-5/h5H, 1-4H | tetrahydropyran-4-carboxylic chloride | AS-19806 | FT

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488194015
• Canonical Smiles: C1COCCC1C(=O)Cl
• IUPAC Name: oxane-4-carbonyl chloride
• InChIKey: RYGUCYSSMOFTSH-UHFFFAOYSA-N
• INCHI: 1S/C6H9ClO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2
• Isomeric SMILES: C1COCCC1C(=O)Cl
• PubChem CID: 2795505
• Molecular Weight: 148.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxanes
• Alternative Parents: Oxacyclic compounds Dialkyl ethers Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxane - Oxacycle - Ether - Dialkyl ether - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oxanes. These are compounds containing an oxane (tetrahydropyran) ring, which is a six-member saturated aliphatic heterocycle with one oxygen atom and five carbon atoms.
• 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: Moisture Sensitive
• Flash Point(°C): 72 °C
• Boil Point(°C): 85 °C/16 mmHg
• Molecular Weight: 148.590 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 148.029 Da
• Monoisotopic Mass: 148.029 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 108.000
• 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