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CAS No.: | 10034-88-5 |
---|---|
Name: | Sodium bisulfate monohydrate |
Article Data: | 7 |
Molecular Structure: | |
Formula: | NaHSO4.H2O |
Molecular Weight: | 138.077 |
Synonyms: | Sulfuricacid, monosodium salt, monohydrate (8CI,9CI);Sodium bisulfate hydrate;Sodium sulfate monohydrate;Sodium hydrogen sulfate hydrate (1:1:1); |
EINECS: | 231-665-7 |
Density: | 2.103 |
Melting Point: | 58 °C |
Boiling Point: | 330 °C at 760 mmHg |
Solubility: | 670 g/L in water |
Appearance: | white adhering crystals |
Hazard Symbols: | Xi |
Risk Codes: | 41 |
Safety: | 24-26 |
Transport Information: | UN 3260 8/PG 3 |
PSA: | 95.04000 |
LogP: | 0.02110 |
sulfuric acid
water
sodium chloride
A
sodium hydrogensulfate monohydrate
Na hydrogensulfate
Conditions | Yield |
---|---|
In water Kinetics; exposure of powdered NaCl to H2SO4 soln. with compn. of NaCl:H2O:H2SO4 of 2:8:1 for 24 h at 85% rel. humidities; not isolated, detn. by Raman spectroscopy; |
sulfuric acid
water
sodium chloride
A
hydrogenchloride
B
sodium hydrogensulfate monohydrate
Conditions | Yield |
---|---|
In water Kinetics; exposure of powdered NaCl to H2SO4 soln. with compn. of NaCl:H2O:H2SO4 of 2:20:1 at 85% rel. humidities; not isolated, detn. by Raman spectroscopy; |
sulfuric acid
water
sodium chloride
sodium hydrogensulfate monohydrate
Conditions | Yield |
---|---|
In sulfuric acid Kinetics; exposure of NaCl with 96 wt% H2SO4 (0.5:1 H2SO4:NaCl) in dry bag; storage in desiccator for several days; exposure to environment of 100% rel. humidities for 40 min; not isolated, detn. by Raman spectroscopy; |
A
sodium hydrogensulfate monohydrate
B
sodium hydrogen oxalate monohydrate
Conditions | Yield |
---|---|
In neat (no solvent) byproducts: H2O; mixing oxalic acid and Glauber's salt; completation of reaction after 24 h;; | |
In not given byproducts: H2O; reaction of Glauber's salt with oxalic acid;; | |
In neat (no solvent) byproducts: H2O; mixing oxalic acid and Glauber's salt; completation of reaction after 24 h;; |
sodium sulfate
sodium hydrogensulfate monohydrate
Conditions | Yield |
---|---|
In water crystallization from an acidic aq. soln. of Na2SO4 at ambient temperature;; | |
In water crystallization from an acidic aq. soln. of Na2SO4 at ambient temperature;; |
sodium hydrogensulfate monohydrate
1,3-bis-(diphenylphosphino)propane
water
palladium diacetate
[Pd(SO4)(1,3-bis(diphenylphosphino)propane)]
Conditions | Yield |
---|---|
In water; acetone acetone soln. of ligand added dropwise to soln. of Pd compd. (1:1), excess NaHSO4 in water added; pptd., stirred for 30 min, filtered off, washed (acetone/water=5/2, Et2O), dried (vac.), elem. anal.; | 90% |
sodium hydrogensulfate monohydrate
trimethylsilyl butyrate
cyclododecanone
N-cyclohexyl-cyclohexanamine
Cyclododecylene acetic acid
Conditions | Yield |
---|---|
With hydrogenchloride In tetrahydrofuran; n-butyllithium | 79% |
sodium hydrogensulfate monohydrate
Conditions | Yield |
---|---|
With pyridine In dichloromethane | 62.6% |
sodium hydrogensulfate monohydrate
Triisopropoxymethan
potassium isopropoxide
cyclopentanone
Conditions | Yield |
---|---|
In isopropyl alcohol | 51% |
sodium hydrogensulfate monohydrate
3-amino-3-(pyridin-3-yl)propanoic acid
di-tert-butyl dicarbonate
Conditions | Yield |
---|---|
With sodium hydroxide; magnesium sulfate In tetrahydrofuran; water |
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The Sodium bisulfate monohydrate, with the CAS registry number 10034-88-5 and EINECS registry number 231-665-7, has the systematic name of sodium hydrogen sulfate hydrate (1:1:1). It is a kind of white adhering crystals which is sensitive to moisture. And the molecular formula of this chemical is NaHSO4.H2O.
The physical properties of Sodium bisulfate monohydrate are as followings: (1)ACD/LogP: -1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.53; (4)ACD/LogD (pH 7.4): -5.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 0; (10)Polar Surface Area: 71.98 Å2; (11)Enthalpy of Vaporization: 62.94 kJ/mol; (12)Boiling Point: 330 °C at 760 mmHg; (13)Vapour Pressure: 3.35E-05 mmHg at 25°C.
Preparation of Sodium bisulfate monohydrate: Thenardite reacts with sulphuric acid, and after a series of Filtration, crystallization, separation, drying, you can get the Sodium hydrogen sulfate monohydrae.
Na2SO4+H2SO4→2NaHSO4
Applications of Sodium bisulfate monohydrate: It is usually used as dyeing auxiliaries for acid dye in printing and dyeing industry, fluxing agent for mineral decomposition in metallurgy industry, and disinfectants & detergents in medical industry.
You should be cautious while dealing with this chemical. It may cause serious damage to eyes. Therefore, you had better take the following instructions: Avoid contact with skin, and in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: [Na+].[O-]S(=O)(=O)O.O
(2)InChI: InChI=1/Na.H2O4S.H2O/c;1-5(2,3)4;/h;(H2,1,2,3,4);1H2/q+1;;/p-1
(3)InChIKey: JXHZRQHZVYDRGX-REWHXWOFAC
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 193mg/kg (193mg/kg) | Comptes Rendus Hebdomadaires des Seances, Academie des Sciences. Vol. 257, Pg. 791, 1963. |