Molecular Structure of Disodium hydrogenphosphate dihydrate (CAS NO.10028-24-7):
IUPAC Name: disodium hydrogen phosphate dihydrate
Formula: H5Na2O6P
Molecular Weight: 177.9894
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: 76.57 Å2
Boiling Point: 158 °C at 760 mmHg
Vapour Pressure: 1.41 mmHg at 25°C
Melting point: 243-245 ºC
EINECS: 231-448-7
InChI
InChI=1/2Na.H3O4P.2H2O/c;;1-5(2,3)4;;/h;;(H3,1,2,3,4);2*1H2/q2*+1;;;/p-2
Smiles
P([O-])([O-])(=O)O.[Na+].[Na+].O.O
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36-24/25-22
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S24/25:Avoid contact with skin and eyes.
S22:Do not breathe dust.
WGK Germany: 3
RTECS: WC4500000
F: 3
Disodium hydrogenphosphate dihydrate , with CAS number of 10028-24-7, can be called Sodium phosphate, dibasic, dihydrate ; Disodium phosphate dihydrate .
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