Basic information
- CAS
6874-60-8- Standard SMILES
CCCCCCCCCCP(=O)(O)O- InChIKey
DZQISOJKASMITI-UHFFFAOYSA-N- Molecular formula
- C10H23O3P
- Average molar mass
- 222.26 g/mol
- Monoisotopic mass
- 222.13848123
Names & identifiers
- Preferred name
- Phosphonic acid, P-decyl-
- IUPAC
- decylphosphonic acid
- English name
- 1-Decylphosphonic acid
- Molecular formula
- C10H23O3P
- Molecular weight
- 222.26
Names & synonyms
Decylphosphonic acid6874-60-8Decanephosphonic acidPhosphonic acid, decyl-1-Decanephosphonic acidPhosphonic acid, P-decyl-EINECS 229-975-2NSC 407850BRN 1771572AI3-230654-04-00-03564 (Beilstein Handbook Reference)DTXSID7064497
Show more names
DPAN-decyl phosphatedecyl-phosphonicaciSALOR-INT L496200-1EALABOTEST-BB LT004089221-decanephosphonicacid
RefChem:862220DTXCID7046201229-975-2n-Decylphosphonic acidDecyl-phosphonic acidMFCD00015830CHEMBL188083NSC-407850
Database identifiers
- CAS
6874-60-8- PubChem CID
- 81309
- DTXSID
DTXSID7064497- ChEMBL
CHEMBL188083- UNII
- YD52GQS9NC
- EC Number
- 229-975-2
- Nikkaji
- J50.280D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 165
Physicochemical properties
- Melting point
- 100 · 100-101°C
- Boiling point
- 355.8 · 355.8±25.0 °C(Predicted)
- Density
- 1.044 · 1.044
- storage temp.
- 2 · 2-8°C
- form
- Powder
- pka
- 2.65 · 2.65±0.10(Predicted)
- color
- white to off-white
- BRN
- 1771572 · 1771572
- InChI
- 1S/C10H23O3P/c1-2-3-4-5-6-7-8-9-10-14(11,12)13/h2-10H2,1H3,(H2,11,12,13)
- InChIKey
- DZQISOJKASMITI-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCP(O)(O)=O
- NCI Dictionary of Cancer Terms
- DPA
- FDA UNII
- 52 GQS9NC · YD52GQS9NC
- EPA Substance Registry System
- Phosphonic acid, decyl- (6874-60-8)
- UNSPSC Code
- 12352103 · 12352103
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P305+P351+P338-P310
- Hazard Codes
- C
- Risk Statements
- 36 · 36/37/38-34-14
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · 3261
- WGK Germany
- 3 · 3
- RTECS
- 7525000 · SZ7525000
- TSCA
- TSCA listed
- HS Code
- 2931.9 · 2931.90.9051
- HazardClass
- 8 · 8
- PackingGroup
- III
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 B · Skin Corr. 1B
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1C (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- SZ7525000
- ridadr
- 3261
- hs_code
- 2931.90.9051
- risk_code
- 36/37/38-34-14
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
- safety_code
- 26-36/37/39-45
- hazard_class
- 8
- Storage Class
- 8A - Combustible corrosive hazardous materials
- packing_group
- III
- Hazard statements
- H314
- Hazard Classifications
- Skin Corr. 1B
- Precautionary statements
- P280-P305+P351+P338-P310
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhosphonic acid, P-decyl-: ACTIVE
Applications
Uses1-Decylphosphonic acid is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff. It is used in stabilizing dye-sensitized solar cell.
General DescriptionDecylphosphonic acid(DPA) is a phosphono-alkane derivative that forms a self-assembled monolayer(SAM) that can be used as an interfacial modifier.
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Related reactions
1 records
Compound notes
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