Propane-1,3-diphosphonic acid tetraethyl ester - ≥98% , CAS No.22401-25-8

CAS: 22401-25-8 Cat. No.: P397967 Molecular Weight: 316.27 PubChem CID: 519945
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
22401-25-8|1,3-bis(diethoxyphosphoryl)propane|Phosphonic acid, trimethylenedi-, tetraethyl ester|TETRAETHYLPROPYLENE-1,3-DIPHOSPHONATE|Propane-1,3-diylbisphosphonic acid tetraethyl ester|Phosphonic acid, 1,3-propanediylbis-, tetraethyl ester|propanediyl-b
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
P397967-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$133.90

$165.90
Save $32.00 (19.29%)
5g
P397967-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$559.90

$653.90
Save $94.00 (14.38%)
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Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
22401-25-8 | 1, 3-bis(diethoxyphosphoryl)propane | Phosphonic acid, trimethylenedi-, tetraethyl ester | TETRAETHYLPROPYLENE-1, 3-DIPHOSPHONATE | Propane-1, 3-diylbisphosphonic acid tetraethyl ester | Phosphonic acid, 1, 3-propanediylbis-, tetraethyl ester | propanediyl-b
Specifications & Purity
≥98%
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Canonical SmilesCCOP(=O)(CCCP(=O)(OCC)OCC)OCC
IUPAC Name1,3-bis(diethoxyphosphoryl)propane
InChIKeyLJQJJGQRJQSYQN-UHFFFAOYSA-N
INCHI1S/C11H26O6P2/c1-5-14-18(12,15-6-2)10-9-11-19(13,16-7-3)17-8-4/h5-11H2,1-4H3
Isomeric SMILES CCOP(=O)(CCCP(=O)(OCC)OCC)OCC
PubChem CID 519945
Molecular Weight 316.27

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassOrganic phosphonic acids and derivatives
SubclassPhosphonic acid diesters
Intermediate Tree Nodes Not available
Direct ParentDialkyl alkylphosphonates
Alternative Parents Phosphonic acid esters  Organopnictogen compounds  Organophosphorus compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAliphatic acyclic compounds
Substituents Dialkyl alkylphosphonate - Phosphonic acid ester - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Organooxygen compound - Aliphatic acyclic compound
DescriptionThis compound belongs to the class of organic compounds known as dialkyl alkylphosphonates. These are compounds containing a phosphonic acid that is diesterified with alkyl groups, and the phosphorus atom is also directly attached to an alkyl group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Boil Point(°C)206-227 °C
Molecular Weight316.270 g/mol
XLogP30.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass316.12 Da
Monoisotopic Mass316.12 Da
Topological Polar Surface Area71.100 Ų
Heavy Atom Count19
Formal Charge0
Complexity270.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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