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540-69-2

Basic Information
CAS No.: 540-69-2
Name: Ammonium formate
Article Data: 71
Molecular Structure:
Molecular Structure of 540-69-2 (Ammonium formate)
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: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36-37/39
PSA: 40.54000
LogP: 0.66060
Synthetic route
74-90-8

hydrogen cyanide

540-69-2

ammonium formate

Conditions
ConditionsYield
With water In hydrogenchloride Kinetics; at 35 45 and 65°C;
With hydrogen bromide In hydrogen bromide Kinetics;
explosive decomposition;
5436-21-5

acetylacetaldehyde dimethyl acetal

A

3438-46-8

4-Methylpyrimidine

B

67-56-1

methanol

C

540-69-2

ammonium formate

Conditions
ConditionsYield
at 190℃; for 3.5h;A 79%
B n/a
C n/a
64-18-6

formic acid

7664-41-7

ammonia

540-69-2

ammonium formate

Conditions
ConditionsYield
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;
ammonium hydrogencarbonate

ammonium hydrogencarbonate

540-69-2

ammonium formate

Conditions
ConditionsYield
With water; nickel at 125 - 200℃; under 73550.8 - 330978 Torr; Hydrogenation;
201230-82-2

carbon monoxide

7664-41-7

ammonia

540-69-2

ammonium formate

Conditions
ConditionsYield
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;
carbon monoxide

carbon monoxide

540-69-2

ammonium formate

Conditions
ConditionsYield
With ammonia; water at 160 - 220℃; under 117681 - 279493 Torr;
124-38-9

carbon dioxide

7664-41-7

ammonia

540-69-2

ammonium formate

Conditions
ConditionsYield
In gas
in present of catalysts;
With H2 In water
460-19-5

ethanedinitrile

540-69-2

ammonium formate

Conditions
ConditionsYield
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
ConditionsYield
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;

H3PO4*HCN

A

86119-84-8, 7664-38-2

phosphoric acid

B

540-69-2

ammonium formate

Conditions
ConditionsYield
With water In water
With H2O In water
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Consensus Reports

Reported in EPA TSCA Inventory.

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.

Ammonium formate can be prepared by formic acid and NH3 via neutralization reaction

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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