Basic information
- Name:
Sodium dihydrogenorthophosphate
- CAS No.:
7558-80-7
- Molecular Structure:
- Formula:
- NaH2PO4
- Molecular Weight:
- 119.98
- Deleted CAS:
- 1333-80-8, 89140-32-9, 943540-07-6
- Synonyms:
- Phosphoricacid, monosodium salt (8CI,9CI);Dihydrogen monosodium phosphate;Dihydrogensodium phosphate;Monobasic sodium phosphate;Monosodium dihydrogen orthophosphate;Monosodium hydrogen phosphate;Sodium dihydrogen monophosphate;Sodium orthophosphate monobasic;Sodium phosphate, monobasic;Sodium primary phosphate;Monosodium Phosphate(MSP);sodium dihydrogen phosphate anhydrous;
- EINECS:
- 231-449-2
- Melting Point:
- <0 °C
- Boiling Point:
- 158 °C at 760 mmHg
- Appearance:
- white crystalline powder
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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Chemistry
Molecular Structure of Sodium dihydrogenorthophosphate (CAS NO.7558-80-7):
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IUPAC Name: sodium dihydrogen phosphate
Empirical Formula: NaH2PO4
Molecular Weight: 119.977
CAS Registry Number: 7558-80-7
EINECS: 231-449-2
ACD/LogP: -2.15
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -5.41
ACD/LogD (pH 7.4): -6.38
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 0
Polar Surface Area: 65.57Å2
Boiling Point: 158 °C at 760 mmHg
Vapour Pressure: 1.41 mmHg at 25°C
Melting point: <0°C
Storage temp: Store at RT
Sensitive: Hygroscopic
Merck: 14,8660
Stability: Stable. Incompatible with heavy metals, strong acids
InChI
InChI=1/Na.H3O4P/c;1-5(2,3)4/h;(H3,1,2,3,4)/q+1;/p-1
Smiles
P(O)(O)(=O)[O-].[Na+]
Product Categories: Inorganics; AlphabeticalBiological Buffers; Biological Buffers; BioUltra Buffers; Buffer SolutionsProtein Structural Analysis; Optimization Reagents; X-Ray Crystallography
Toxicity Data With Reference
| 1. | eye-hmn 50 mg MLD | ARZNAD Arzneimittel-Forschung. Drug Research. 9 (1959),349. | ||
| 2. | eye-rbt 150 mg MLD | ARZNAD Arzneimittel-Forschung. Drug Research. 9 (1959),349. | ||
| 3. | orl-rat LD50:8290 mg/kg | 28ZPAK Sbornik Vysledku Toxixologickeho Vysetreni Latek A Pripravku Marhold, J.V.,Institut Pro Vychovu Vedoucicn Pracovniku Chemickeho Prumyclu Praha,Czechoslovakia.: 1972,16. | ||
| 4. | ims-rat LD50:250 mg/kg | EMSUA8 Experimental Medicine and Surgery. 4 (1946),223. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Poison by intramuscular route. Mildly toxic by ingestion. A human and experimental eye irritant. When heated to decomposition it emits toxic fumes of POx and Na2O. See also Phosphates.
Hazard Codes: 
Xi
Risk Statements: 36/37/38
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
Safety Statements: 26-36
R26:Very toxic by inhalation.
R36:Irritating to eyes.
WGK Germany: 1
RTECS: WA1900000
F: 3
HS Code: 28352200
Specification
Sodium dihydrogenorthophosphate , with CAS number of 7558-80-7, can be called Phosphoric acid, sodium salt (2:3) ; Sodium hydrogen phosphate (1:2:1) ; Dihydrogensodium phosphate ; Monosodium dihydrogen orthophosphate . It is a white crystalline powder.