1,2-Bis(diethyl-phosphonato)ethane

• CAS: 995-32-4
• Catalog Number: ACM995324-1
• Category: Other Products
• Molecular Weight: 302.24
• Molecular Formula: C10H24O6P2
• Synonyms: Tetraethyl Ethylenediphosphonate; Ethylenediphosphonic Acid Tetraethyl Ester
• IUPAC Name: 1,2-bis(diethoxyphosphoryl)ethane
• SMILES: CCOP(=O)(CCP(=O)(OCC)OCC)OCC
• InChI: RSQYXXACEZCDFS-UHFFFAOYSA-N
• InChI Key: InChI=1S/C10H24O6P2/c1-5-13-17(11,14-6-2)9-10-18(12,15-7-3)16-8-4/h5-10H2,1-4H3
• Boiling Point: 200-202 °C at 14 mmHg(lit.)
• Flash Point: >110°C
• Density: 1.146 g/mL at 25 °C(lit.)
• Appearance: Liquid
• Complexity: 257
• Covalently-Bonded Unit Count: 1
• EC Number: 213-625-0
• Exact Mass: 302.105g/mol
• H-Bond Acceptor: 6
• Heavy Atom Count: 18
• Isomeric SMILES: CCOP(=O)(CCP(=O)(OCC)OCC)OCC
• Monoisotopic Mass: 302.105g/mol
• Rotatable Bond Count: 11
• Topological Polar Surface Area: 71.1A^2

Custom Q&A

What is the molecular formula of 1,2-Bis(diethyl-phosphonato)ethane?

The molecular formula is C10H24O6P2.

What is the CAS number of 1,2-Bis(diethyl-phosphonato)ethane?

The CAS number is 995-32-4.

How many heavy atoms are present in the chemical structure of 1,2-Bis(diethyl-phosphonato)ethane?

There are 18 heavy atoms.

What is the Canonical SMILES representation of 1,2-Bis(diethyl-phosphonato)ethane?

CCOP(=O)(CCP(=O)(OCC)OCC)OCC

How many hydrogen bond acceptors are there in 1,2-Bis(diethyl-phosphonato)ethane?

There are 6 hydrogen bond acceptors.

What is the IUPAC name of 1,2-Bis(diethyl-phosphonato)ethane?

The IUPAC name is 1,2-bis(diethoxyphosphoryl)ethane.

What is the XLogP3 value of 1,2-Bis(diethyl-phosphonato)ethane?

The XLogP3 value is 0.2.

What is the molecular weight of 1,2-Bis(diethyl-phosphonato)ethane?

The molecular weight is 302.24g/mol.

How many rotatable bonds are present in the structure of 1,2-Bis(diethyl-phosphonato)ethane?

There are 11 rotatable bonds.

What are some of the synonyms for 1,2-Bis(diethyl-phosphonato)ethane?

Some synonyms include Tetraethyl ethylenediphosphonate, Ethylenediphosphonic Acid Tetraethyl Ester, and Tetraethyl ethylenebisphosphonate.

Synthetic Use

Upstream Synthesis Route 1

• 762-49-2
• 118080-94-7

• 358-58-7
• 995-32-4

Reference: [1]Saunders et al.
[Journal of the Chemical Society, 1948, p. 702]

Upstream Synthesis Route 2

• 682-30-4
• 762-04-9

• 995-32-4

Reference: [1]Il'in; Antonova; Khusainova; Galkin
[Russian Journal of General Chemistry, 2019, vol. 89, # 11, p. 2207 - 2211][Zh. Obshch. Khim., 2019, vol. 89, # 11, p. 1686 - 1691,6]
[2]Pudowik; Denisowa
[Zhurnal Obshchei Khimii, 1953, vol. 23, p. 263,265; enlg.Ausg.S.273,274]
Current Patent Assignee: COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (MICHELIN) - US2651656, 1950, A

Downstream Synthesis Route 1

• 995-32-4

• 6145-31-9

Reference: [1]Kabatschnik
[Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1947, p. 631,635][Chem.Abstr., 1948, p. 5845]
[2]Tian, Tao; Yang, Weiting; Wang, Hao; Dang, Song; Sun, Zhong-Ming
[Inorganic Chemistry, 2013, vol. 52, # 15, p. 8288 - 8290]

* For details of the synthesis route, please refer to the original source to ensure accuracy.