formic acid amine

• ChemBase ID: 125824
• Molecular Formular: CH5NO2
• Molecular Mass: 63.0559
• Monoisotopic Mass: 63.03202841
• SMILES: C(=O)O.N
• Canonical SMILES: OC=O.N
• InChI: InChI=1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3
• InChIKey: VZTDIZULWFCMLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: formic acid amine
• IUPAC Traditional name: formic acid amine
• Synonyms: Ammonium formate solution; Formic acid ammonium salt; Ammonium formate; Ammonium formate; 甲酸铵 溶液; 甲酸 铵盐; 甲酸铵

Database IDs

• CAS Number: 540-69-2
• EC Number: 208-753-9
• MDL Number: MFCD00013103
• Beilstein Number: 3625095
• PubChem SID: 24846281; 24873910; 24886070; 24846279; 162220170; 24850743; 24849602; 24887284; 24879577
• PubChem CID: 2723923; 10904
• Chemspider ID: 10442
• Wikipedia Title: Ammonium_formate

CALCULATED PROPERTIES

• Acid pKa: 4.269118
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5255477
• LogD (pH = 7.4): -3.257304
• Log P: -0.27204442
• Molar Refractivity: 8.1532 cm^3
• Polarizability: 3.259014 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 102 g/100 mL (0 °C) ; 143 g/100 mL (20 °C) ; 531 g/100 mL (80 °C) in water; H2O: soluble0.1 g/mL at 25 °C, clear, colorless; H2O: soluble1 M at 20 °C, clear, colorless; H2O: soluble10 M at 20 °C, clear, colorless; soluble in liquid ammonia, alcohol and diethyl ether
• Apperance: crystalline; white monoclinic crystals ; deliquescent
• Melting Point: 116 °C; 119-121 °C(lit.)
• Boiling Point: decomposes
• Flash Point: 104 °C; 220 °F
• Density: 0.998 g/mL at 25 °C; 1.26 g/mL at 25 °C(lit.); 1.280 g/cm^3
• Absorption Wavelength: λ: 250 nm Amax: 0.05; λ: 260 nm Amax: ≤0.01; λ: 260 nm Amax: 0.04; λ: 260 nm Amax: 0.05; λ: 270 nm Amax: 0.03; λ: 280 nm Amax: ≤0.01; λ: 280 nm Amax: 0.02; λ: 280 nm Amax: 0.04; λ: 500 nm Amax: 0.02
• pKa: 7
• pH: 5.5-7.5 (20 °C, 10% in H2O); 5.5-7.5 (25 °C, 1 M in H2O); 6.0-7.0 (25 °C, 50 mg/mL in H2O); 6.0-8.0 (25 °C, 10 M in H2O); 6-7 (20 °C, 5%)

Safety Information

• RTECS: BQ6650000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1; 2
• Risk Statements: 36/37/38; R36/37/38
• Safety Statements: 26; 26-36; S26, S36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• NFPA704:
  

  0

  1

  0
• LD50: 2250 mg/kg, oral (mouse)
• GHS Hazard statements: 315, 319, 335; H315-H319-H335
• GHS Precautionary statements: 261, 305+351+338; P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95.0%; ≥97.0% (T); ≥98%; ≥99.0%; ≥99.0% (calc. based on dry substance, NT); ≥99.0% (calc. on dry substance, NT); ≥99.0% (dried material, NT); ≥99.995% trace metals basis; 97%
• Concentration: 10 M in H2O; 10 mM in H2O
• Grade: CHROMASOLV®; eluent additive for LC-MS; for HPLC; for mass spectrometry; purum; purum p.a.; reagent grade; SAJ first grade
• Suitability: corresponds for filter test; corresponds to standard for RP gradient test; in accordance for suitability for UHPLC-MS; passes test for LC-MS
• Ignition Residue: ≤0.1% (as SO4) (900°C)
• Impurities: <2% water; ≤0.002% heavy metals (as Pb); ≤2% water; ≤3% water; insoluble matter, passes filter test
• Cation Traces: Al: ≤1 mg/kg; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤1 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Ca: ≤5 mg/kg; Ca: ≤50 mg/kg; Cd: ≤1 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤1 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤1 mg/kg; Cr: ≤5 mg/kg; Cu: ≤1 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤1 mg/kg; Fe: ≤20 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; K: ≤20 mg/kg; K: ≤200 mg/kg; K: ≤5 mg/kg; K: ≤50 mg/kg; Li: ≤1 mg/kg; Li: ≤5 mg/kg; Mg: ≤1 mg/kg; Mg: ≤5 mg/kg; Mn: ≤1 mg/kg; Mn: ≤5 mg/kg; Mo: ≤1 mg/kg; Mo: ≤5 mg/kg; Na: ≤100 mg/kg; Na: ≤20 mg/kg; Na: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤1 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤1 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤1 mg/kg; Sr: ≤5 mg/kg; Zn: ≤1 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Shelf Life: (limited shelf life, expiry date on the label); (limited shelf life,expiry date on the label)
• λ: 1 M in H2O; 10 % in H2O; 10 M in H2O
• Product Line: BioUltra
• Linear Formula: HCO2NH4; HCOONH4

DETAILS

Sigma Aldrich - 516961

Application
Phenolic benzyl protecting groups are quickly removed by ammonium formate and microencapsulated palladium(0) under microwave irradiation.1
Packaging
100 g in poly bottle

Sigma Aldrich - 714690

Packaging
4×4 L in glass bottle
Legal Information
CHROMASOLV is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 156264

Packaging
1, 2.5 kg in poly bottle
100, 500 g in poly bottle

Sigma Aldrich - 09739

Other Notes
Reductant in catalytic hydrogen transfer reductions1,2,3

Sigma Aldrich - 09735

Other Notes
Buffer component in the separation and purification of glycosaminoglycans from complex systems by affinity chromatography with Polybrene1.
Application
Ammonium formate can be used to study biological buffers. Ammonium formate has been used in a study to develop an ultrasensitive and selective high performance liquid chromatographic method for one of volatile signaling phytohormones, jasmonic acid (JA). Ammonium formate has also been used in a study to develop and validate a direct injection liquid chromatography-electrospray ionization-tandem mass spectrometric method (LC-ESI-MS/MS) for the rapid and simple determination of 13 phenylalkylamine derivatives.