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| CAS No.: | 14335-33-2 |
|---|---|
| Name: | Phosphoric acid-d3 |
| Article Data: | 17 |
| Molecular Structure: | |
|
|
|
| Formula: | H3O4P |
| Molecular Weight: | 100.971 |
| Synonyms: | Deuteriumphosphate (D3PO4);Phosphoric acid-d3(6CI,7CI,8CI,9CI); |
| EINECS: | 238-285-0 |
| Density: | 2.235 g/cm3 |
| Melting Point: | 41-44 °C(lit.) |
| Boiling Point: | 157.999 °C at 760 mmHg |
| Appearance: | clear colorless solution |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39-45 |
| Transport Information: | UN 1805 8 |
| PSA: | 87.57000 |
| LogP: | -0.92860 |
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- 57583-55-8
deuterophosphorous acid
B
- 14335-33-2
[D3]phosphoric acid
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide Kinetics; React. between 298 and 318 K.; Monitored spectrophotometrically at 356 nm.; |
| Conditions | Yield |
|---|---|
| formation from diluted (2)H2SO4 and Ba3(PO4)2;; |
- 75-91-2
tert.-butylhydroperoxide
- 12185-10-3
phosphorous
- 7789-20-0
water-d2
A
- 57583-56-9
trideutero hypophosphorous acid
B
- 57583-55-8
deuterophosphorous acid
C
- 14335-33-2
[D3]phosphoric acid
| Conditions | Yield |
|---|---|
| In water-d2; toluene Kinetics; Ar, P4 (or soln. of P4 in toluene) added in small portions, heated to 25-60°C, stirred for 0.5-4 h; not isolated, detected by NMR; | |
| In tetrahydrofuran; water-d2 Kinetics; Ar, P4 added in small portions, heated to 60°C, stirred for 0.5-4h; not isolated, detected by NMR; | |
| In tetrachloromethane; water-d2 Kinetics; Ar, P4 added in small portions, heated to 60°C, stirred for 0.5-4h; not isolated, detected by NMR; | |
| In hexane; water-d2 Kinetics; Ar, P4 added in small portions, heated to 60°C, stirred for 0.5-4h; not isolated, detected by NMR; | |
| In water-d2 Kinetics; Ar, P4 added in small portions, heated to 90°C, stirred for 0.5-4h; not isolated, detected by NMR; |
- 12185-10-3
phosphorous
- 7722-84-1
dihydrogen peroxide
- 7789-20-0
water-d2
A
- 57583-56-9
trideutero hypophosphorous acid
B
- 57583-55-8
deuterophosphorous acid
C
- 14335-33-2
[D3]phosphoric acid
| Conditions | Yield |
|---|---|
| In water-d2 Kinetics; Ar, P4 added in small portions, heated to 25-90°C, stirred for 0.5-4 h; not isolated, detected by NMR; |
- 12185-10-3
phosphorous
- 7789-20-0
water-d2
- 94-36-0
dibenzoyl peroxide
A
- 57583-56-9
trideutero hypophosphorous acid
B
- 57583-55-8
deuterophosphorous acid
C
- 14335-33-2
[D3]phosphoric acid
| Conditions | Yield |
|---|---|
| In water-d2; toluene Kinetics; Ar, P4 (or soln. of P4 in toluene) added in small portions, heated to 60-60°C, stirred for 0.5-4 h; not isolated, detected by NMR; | |
| copper diacetate In water-d2; toluene Kinetics; Ar, P4 added in small portions, heated to 60°C, stirred for 0.5-4h; not isolated, detected by NMR; | |
| copper(l) iodide In water-d2; toluene Kinetics; Ar, P4 added in small portions, heated to 60°C, stirred for 0.5-4h; not isolated, detected by NMR; |
| Conditions | Yield |
|---|---|
| stoich. amts.; | |
| In neat (no solvent) | |
| In water-d2 P-compd. dissoln.; |
| Conditions | Yield |
|---|---|
| In neat (no solvent) formation of diluted soln. with POCl3 and excess (2)H2O;; |
| Conditions | Yield |
|---|---|
| In water-d2 |
| Conditions | Yield |
|---|---|
| In water sublimated P4O10 converted with ultrapure D2O in moisturizing apparatus; filtered through G5 sintered glass frit under CO2-free atmosphere; |
- 57583-55-8
deuterophosphorous acid
B
- 14335-33-2
[D3]phosphoric acid
| Conditions | Yield |
|---|---|
| In dimethyl sulfoxide Kinetics; react. of (2)HP(O)(O(2)H)2 with O2CrOCl at 298 K; detd. spectrophotometrically; |
- Total:22 Page 1 of 1 1
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Chemistry
Molecule structure of Phosphoric acid-d3 (CAS NO.14335-33-2):
IUPAC Name: Trideuterio phosphate
Molecular Weight: 101.013666 g/mol
Molecular Formula: H3O4P
Density: 1.741 g/mL at 25 °C
Melting Point: 41-44 °C(lit.)
Boiling Point: 158 °C at 760 mmHg
Index of Refraction: 1.51
Molar Refractivity: 13.52 cm3
Molar Volume: 45.2 cm3
Surface Tension: 136.3 dyne/cm
Vapour Pressure: 1.41 mmHg at 25 °C
XLogP3-AA: -2.1
H-Bond Donor: 3
H-Bond Acceptor: 4
Exact Mass: 100.995725
MonoIsotopic Mass: 100.995725
Topological Polar Surface Area: 77.8
Heavy Atom Count: 5
Canonical SMILES: OP(=O)(O)O
Isomeric SMILES: [2H]OP(=O)(O[2H])O[2H]
InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/i/hD3
InChIKey: NBIIXXVUZAFLBC-ZRLBSURWSA-N
EINECS: 238-285-0
Uses
Phosphoric acid-d3 (CAS NO.14335-33-2) is used as NMR analysis.
Safety Profile
Hazard Codes: 
C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 1805 8/PG 3
WGK Germany: 3
F: 10
Specification
Phosphoric acid-d3 (CAS NO.14335-33-2) is also named (3H)Phosphoric acid ; Phosphoric acid-d3 solution ; Phosphoric Acid-d3 (85% in D2O) ; Trideuterophosphoric acid . Phosphoric acid-d3 (CAS NO.14335-33-2) is clear colorless solution.