Ammonium formate

• CAS: 540-69-2
• Catalog Number: ACM540692
• Category: Metal & Ceramic Materials
• Molecular Weight: 63.06
• Molecular Formula: CH5NO2
• Description: Ammonium formate, NH4HCO2, is the ammonium salt of formic acid. It is a colorless, hygroscopic, crystalline solid.
• Synonyms: Formiate ammonia
• IUPAC Name: Azanium;formate
• SMILES: C(=O)[O-].[NH4+]
• InChI: InChI=1S/CH₂O2.H3N/c2-1-3;/h1H,(H,2,3);1H3
• InChI Key: VZTDIZULWFCMLS-UHFFFAOYSA-N
• Boiling Point: 103.28 °C
• Melting Point: 119-121 °C
• Flash Point: 104 °C
• Density: 1.26 g/mL at 25 °C (lit.)
• Solubility: IN WATER: 102 G/100 CC @ 0 °C, 531 G/100 CC @ 80 °C; SOL IN ETHER, AMMONIA
• Appearance: White solid
• Application: Ammonium formate serves multiple crucial roles across various chemical applications. As the ammonium salt of formic acid, it is a versatile compound extensively used in organic reactions such as the Leuckart reaction, enabling the reductive amination of aldehydes and ketones. Its utility extends to acting as a buffer in both high-performance liquid chromatography (HPLC) and liquid chromatography/mass spectrometry (LC/MS) analyses, particularly effective within the low-pH range. The compound is also integral in industry as it decomposes when heated to form formamide and water, a process utilized for generating formamide. Additionally, ammonium formate finds use in palladium on carbon (Pd/C) reductions, as it decomposes to produce hydrogen, carbon dioxide, and ammonia, which are valuable for the reduction of functional groups. Furthermore, it doubles as a storage medium for formic acid since it can regenerate formic acid when reacting with dilute acids.
• Storage: Inert atmosphere,Room Temperature
• Color/Form: WHITE MONOCLINIC CRYSTALS
• Complexity: 7.5
• Covalently-Bonded Unit Count: 2
• Decomposition: When heated to decomp ... emits toxic fumes of /nitrogen oxides and ammonia/.
• EC Number: 208-753-9
• Exact Mass: 63.032028402
• Formal Charge: 0
• Hazard Codes: Xi
• H-Bond Acceptor: 2
• H-Bond Donor: 1
• Heavy Atom Count: 4
• HS Code: 2915120000
• LogP: 0.66060
• Monoisotopic Mass: 63.032028402
• Odor: Slight formic acid odour
• Other Experimental: DELIQUESCES
• PSA: 4.54
• Rotatable Bond Count: 0
• Stability: Stable. Hygroscopic. Incompatible with strong acids, strong oxidizing agents.
• Storage Conditions: Store at RT.
• Topological Polar Surface Area: 41.1 Ų
• UNII: 3801F9644E
• WGK Germany: 2

Synthetic Use

Upstream Synthesis Route 1

• 5436-21-5
• 77287-34-4

• 3438-46-8
• 67-56-1
• 540-69-2

Reference: [1] Patent: EP1457489, 2004, A1, . Location in patent: Page 3

Downstream Synthesis Route 1

• 540-69-2
• 70-11-1

• 20662-89-9

Reference: [1] Journal of Medicinal Chemistry, 1997, vol. 40, # 12, p. 1794 - 1807

Downstream Synthesis Route 2

• 540-69-2
• 104-88-1

• 104-86-9

Reference: [1] Journal of the Karnatak University, 1957, vol. 2, p. 19,26

Downstream Synthesis Route 3

• 6285-05-8
• 540-69-2

• 74788-46-8

Reference: [1]Scientia Pharmaceutica,1953,vol. 21,p. 308,310

Downstream Synthesis Route 4

• 92-91-1
• 540-69-2

• 86217-82-5

Reference: [1]Ingersoll et al.
[Journal of the American Chemical Society, 1936, vol. 58, p. 1808,1810][Organic Syntheses, 1943, vol. Coll. Vol. II, p. 503,505]
Ingersoll
[Organic Syntheses, Collective]

Downstream Synthesis Route 5

• 6361-23-5
• 540-69-2

• 10541-69-2

Reference: [1]Burger; Walter
[Journal of the American Chemical Society, 1950, vol. 72, p. 1988]

* For details of the synthesis route, please refer to the original source to ensure accuracy.