Diethylphosphinic acid
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Basic information
- CAS
813-76-3- Standard SMILES
CCP(=O)(O)CC- InChIKey
KTLIMPGQZDZPSB-UHFFFAOYSA-N- Molecular formula
- C4H11O2P
- Average molar mass
- 122.1 g/mol
- Monoisotopic mass
- 122.04966659
Names & identifiers
- Preferred name
- Diethylphosphinic acid
- IUPAC
- diethylphosphinic acid
- English name
- DIETHYLPHOSPHINIC ACID
- Molecular formula
- C4H11O2P
- Molecular weight
- 122.1
Names & synonyms
diethylphosphinic acid813-76-3DTXSID20400487RefChem:338147DTXCID60351343Phosphinic acid,P,P-diethyl-DIETHYLPHOSPHINICACIDMFCD00672213diethylphosphonic acidDiaethyl-phosphinsaeurediethyl phosphinic acidDiethylphosphinicc acidzz00
Show more names
SCHEMBL191734Phosphinic acid, P,P-diethyl-SCHEMBL1988469KTLIMPGQZDZPSB-UHFFFAOYSA-NAKOS006275551SY362193D6424F71351
Database identifiers
- CAS
813-76-3- PubChem CID
- 4186629
- DTXSID
DTXSID20400487- EC Number
- 700-732-7
- Nikkaji
- J21.042K
Properties
Computed structural propertiesFilling in
- XLogP
- -0.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 81.7
Physicochemical properties
- Melting point
- 18.5 °C · 18.5°C
- Boiling point
- 320 °C · 320°C
- Density
- 1.05 · 1.050±0.06 g/cm3(Predicted)
- pka
- 3.18 · 3.18±0.50(Predicted)
- form
- liquid
- InChI
- InChI=1S/C4H11O2P/c1-3-7(5,6)4-2/h3-4H2,1-2H3,(H,5,6)
- InChIKey
- KTLIMPGQZDZPSB-UHFFFAOYSA-N
- SMILES
- P(CC)(CC)(O)=O
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
- TSCA
- TSCA listed
- REACH Registrations
- Active
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
H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
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, P405, 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
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: Diethylphosphinic Acid (EC: 700-732-7)
Hazard Classes and CategoriesSkin Corr. 1A (50%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphinic acid, P,P-diethyl-: ACTIVE
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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