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| CAS No.: | 540-69-2 |
|---|---|
| Name: | Ammonium formate |
| Article Data: | 71 |
| Molecular Structure: | |
|
|
|
| Formula: | NH4HCO2 |
| Molecular Weight: | 63.0562 |
| Synonyms: | Ammoniumformate (6CI);Formic acid, ammonium salt (8CI,9CI); |
| EINECS: | 208-753-9 |
| Density: | 1.26 g/cm3 |
| Melting Point: | 119-121 °C(lit.) |
| Boiling Point: | 100.6oC at 760 mmHg |
| Flash Point: | 29.9oC |
| Solubility: | H2O: 10 M at 20 °C, clear, colorless |
| Appearance: | colorless, hygroscopic, crystalline solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 40.54000 |
| LogP: | 0.66060 |
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| Conditions | Yield |
|---|---|
| With water In hydrogenchloride Kinetics; at 35 45 and 65°C; | |
| With hydrogen bromide In hydrogen bromide Kinetics; | |
| explosive decomposition; |
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A
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B
- 67-56-1
methanol
C
- 540-69-2
ammonium formate
| Conditions | Yield |
|---|---|
| at 190℃; for 3.5h; | A 79% B n/a C n/a |
| Conditions | Yield |
|---|---|
| In diethyl ether introduction of dry NH3 into ethereal soln. of HCO2H; recrystallizing from ethanol; | |
| In not given introduction of gaseous NH3 into 90 % HCO2H soln., finishing by higher temperature; recrystallizing from dry alcohol, drying over H2SO4 in vacuum desiccator; | |
| In water neutralization of aq. HCO2H with NH3, evaporation, concentration in vacuo; |
- 540-69-2
ammonium formate
| Conditions | Yield |
|---|---|
| With water; nickel at 125 - 200℃; under 73550.8 - 330978 Torr; Hydrogenation; |
| Conditions | Yield |
|---|---|
| With water In gas by higher temperature; | |
| In water | |
| With H2O In neat (no solvent, gas phase) by higher temperature; | |
| In water | |
| With water In gas by higher temperature; |
- 540-69-2
ammonium formate
| Conditions | Yield |
|---|---|
| With ammonia; water at 160 - 220℃; under 117681 - 279493 Torr; |
| Conditions | Yield |
|---|---|
| In gas | |
| in present of catalysts; | |
| With H2 In water |
| Conditions | Yield |
|---|---|
| With H2O In water further products; in alkaline soln.; | |
| With H2O In water further products; in alkaline soln.; |
- 201230-82-2
carbon monoxide
- 540-69-2
ammonium formate
| Conditions | Yield |
|---|---|
| With nitrogen; water; hydrogen In gas dark electric discharge in a gaseous mixture of N2, H2, H2O, CO and CO2; | |
| With N2; H2; H2O In neat (no solvent, gas phase) dark electric discharge in a gaseous mixture of N2, H2, H2O, CO and CO2; |
| Conditions | Yield |
|---|---|
| With water In water | |
| With H2O In water |
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Specification
The Ammonium formate, also known as Formic acid, ammonium salt, is an organic compound with the formula NH4HCO2. It belongs to the product categories of Industrial/Fine Chemicals; Alphabetical Synthetic Reagents; Ammonium Biological Buffers; Biological Buffers; BioUltra Buffers; Buffer Solutions Protein Structural Analysis; Inorganic Salts; Optimization Reagents; X-Ray Crystallography. Its EINECS registry number is 208-753-9. With the CAS registry number 540-69-2, its IUPAC name is azanium formate. It is a colorless, hygroscopic, crystalline solid.
Physical properties of Ammonium formate: (1)H-Bond Donor: 1; (2)H-Bond Acceptor: 2; (3)Rotatable Bond Count: 0; (4)Exact Mass: 63.032028; (5)MonoIsotopic Mass: 63.032028; (6)Topological Polar Surface Area: 41.1; (7)Heavy Atom Count: 4; (8)Formal Charge: 0; (9)Complexity: 7.5; (10)Isotope Atom Count: 0; (11)Defined Atom StereoCenter Count: 0; (12)Undefined Atom StereoCenter Count: 0; (13)Defined Bond StereoCenter Count: 0; (14)Undefined Bond StereoCenter Count: 0; (15)Covalently-Bonded Unit Count: 2.
Preparation of Ammonium formate: this chemical can be prepared by formic acid and NH3 via neutralization reaction. The formic acid and H2O is freezed. The reaction mixture is stirred at -5 °C with the PH value of 7-7.5 and is filtered. Finally, you can get Ammonium formate.
Uses: formic acid can be obtained by reacting Ammonium formate with a dilute acid, and since ammonium formate is also produced from formic acid, it can serve as a way of storing formic acid. Ammonium formate can also be used in palladium on carbon (Pd/C) reduction of functional groups. Ammonium formate can be used for reductive amination of aldehydes and ketones. Ammonium formate can be used as a buffer in high performance liquid chromatography (HPLC), and is suitable for use with liquid chromatography/mass spectroscopy (LC/MS).
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(=O)[O-].[NH4+]
(2)InChI: InChI=1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3
(3)InChIKey: VZTDIZULWFCMLS-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 410mg/kg (410mg/kg) | Zeitschrift fuer Ernaehrungswissenschaft. Vol. 9, Pg. 332, 1969. | |
| mouse | LD50 | oral | 2250mg/kg (2250mg/kg) | Zeitschrift fuer Ernaehrungswissenschaft. Vol. 9, Pg. 332, 1969. |
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