2-Chloro-1,3,2-dioxaphospholane - ≥97%(GC) , CAS No.822-39-9

CAS: 822-39-9 Cat. No.: C154014 Molecular Weight: 126.48 Beilstein Registry Number: 506179 EC Number: 212-499-4

GRADE & PURITY ≥97%(GC)

Synonyms

InChI=1/C2H4ClO2P/c3-6-4-1-2-5-6/h1-2H | MFCD00014511 | AKOS015912770 | Ethylenephosphorochloridite(2-chloro-1,3,2-dioxaphospholane) | EINECS 212-499-4 | DTXSID4061173 | 1,3,2-Dioxaphospholane, 2-chloro- | Cyclic ethylene chlorophosphite | Ethylene phosph

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

InChI=1/C2H4ClO2P/c3-6-4-1-2-5-6/h1-2H | MFCD00014511 | AKOS015912770 | Ethylenephosphorochloridite(2-chloro-1, 3, 2-dioxaphospholane) | EINECS 212-499-4 | DTXSID4061173 | 1, 3, 2-Dioxaphospholane, 2-chloro- | Cyclic ethylene chlorophosphite | Ethylene phosph

Specifications & Purity

≥97%(GC)

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥97%(GC)

Names and Identifiers

• Canonical Smiles: C1COP(O1)Cl
• IUPAC Name: 2-chloro-1,3,2-dioxaphospholane
• InChIKey: OLSFRDLMFAOSIA-UHFFFAOYSA-N
• INCHI: 1S/C2H4ClO2P/c3-6-4-1-2-5-6/h1-2H2
• Isomeric SMILES: C1COP(O1)Cl
• WGK Germany: 3
• Molecular Weight: 126.48
• Beilstein: 506179
• Reaxy-Rn: 506179
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=506179&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dioxaphospholanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dioxaphospholanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Dioxaphospholanes
• Alternative Parents: Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,3_dioxaphospholane - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as dioxaphospholanes. These are cyclic organic compounds containing a five-member aliphatic single-bonded ring, with a phosphorine atom and two oxygen atoms at the ring positions 1, 2, and 3 respectively.
• 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
• Refractive Index: 1.4890 to 1.4930
• Flash Point(°F): 186.8 °F
• Flash Point(°C): 70°C
• Boil Point(°C): 62 °C/20 mmHg (lit.)
• Melt Point(°C): -28°C
• Molecular Weight: 126.480 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 125.964 Da
• Monoisotopic Mass: 125.964 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 44.800
• 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

References

1. Junming Huang, Genzheng Sha, Minghui Cui, Mengqiu Quan, Yuqing Wang, Yao Lu, Jin Zhu, Jing Chen.  (2024)  A highly reactive soybean oil-based superhydrophobic polyurethane film with long-lasting antifouling and abrasion resistance.  Nanoscale Advances,      [PMID:39309514] [10.1039/D4NA00674G]