Hexylphosphonic Acid
Basic information
- CAS
4721-24-8- Standard SMILES
CCCCCCP(=O)(O)O- InChIKey
GJWAEWLHSDGBGG-UHFFFAOYSA-N- Molecular formula
- C6H15O3P
- Average molar mass
- 166.16 g/mol
- Monoisotopic mass
- 166.07588133
Names & identifiers
- Preferred name
- Hexylphosphonic Acid
- IUPAC
- hexylphosphonic acid
- English name
- n-Hexylphosphonic acid
- Molecular formula
- C6H15O3P
- Molecular weight
- 166.16
Names & synonyms
hexylphosphonic acidDTXSID50963772RefChem:788325DTXCID101391504811-094-5n-Hexylphosphonic acid4721-24-8N-HEXYLPHOSPHONICACIDMFCD000139611-Hexylphosphonic acidHexylphosphonic acid, 95%SCHEMBL121170
Show more names
NSC 222656Hexanephosphonic acidLABOTEST-BB LT00408920Hexylphosphonic acid 95%Phosphonic acid, P-hexyl-Hexylphosphonic Acid （Hpaa）n-Hexylphosphonicacid,min.97%n-Hexylphosphonic acid, ,min. 97%
SCHEMBL482879SCHEMBL482880SCHEMBL14957292SCHEMBL29217124NSC222656SBB057477STK372994AKOS005259353
Database identifiers
- CAS
4721-24-8- PubChem CID
- 312552
- DTXSID
DTXSID50963772- EC Number
- 811-094-5
- Nikkaji
- J521.213H
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Melting point
- 108 · 108-110°C
- Boiling point
- 299.7 · 299.7±23.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Storage temp. 2-8°C
- solubility
- soluble in Methanol
- pka
- 2.66 · 2.66±0.10(Predicted)
- form
- Powder
- color
- White to off-white
- Water Solubility
- Insoluble in water.
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- InChI
- InChI=1S/C6H15O3P/c1-2-3-4-5-6-10(7,8)9/h2-6H2,1H3,(H2,7,8,9)
- InChIKey
- GJWAEWLHSDGBGG-UHFFFAOYSA-N
- SMILES
- P(CCCCCC)(=O)(O)O
- UNSPSC Code
- 12352300 · 12352300
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]
P234, P260, P264, P264+P265, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P321, P332+P317, P337+P317, P362+P364, P363, P390, P405, P406, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesMet. Corr. 1 (50%)
Safety data
- wgk
- 3
- ridadr
- 3261
- hs_code
- 2931.39.0030
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- 8
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H315-H319
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313
Chemistry & industry
Applications
Usesn-Hexylphosphonic acid is used in the manufacturing of nanoparticles such as quantum dots, nano-metals and nano-ceramics. It is also used for coating of many materials, including nanoparticles by condensed hydrophobic monolayers.
General DescriptionHexylphosphonic acid(HPA) is a phosphonic acid derivative that can be used as a capping agent and a surfactant.
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Compound notes
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