Ammonium benzoate - CAS 1863-63-4
Catalog: |
BB014299 |
Product Name: |
Ammonium benzoate |
CAS: |
1863-63-4 |
Synonyms: |
Benzoic acid, ammonium salt (1:1); Benzoic acid, ammonium salt; Vulnoc AB; Vulnoc ABS |
Related CAS: | 65-85-0 (free base) 14374-89-1 (Deleted CAS)
|
IUPAC Name: | azanium;benzoate |
Molecular Weight: | 139.15 |
Molecular Formula: | C7H9NO2 |
Canonical SMILES: | C1=CC=C(C=C1)C(=O)[O-].[NH4+] |
InChI: | InChI=1S/C7H6O2.H3N/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);1H3 |
InChI Key: | VWSRWGFGAAKTQG-UHFFFAOYSA-N |
Melting Point: | 198°C (dec.) |
Flash Point: | 111.4°C |
Purity: | ≥95% |
Density: | 1.260 g/cm³ |
Solubility: | Soluble in Water |
Appearance: | White to Off-white Crystals |
Storage: | Store at RT |
MDL: | MFCD00013069 |
LogP: | 1.70870 |
pH: | Aq soln is slightly acid |
Refractive Index: | 1.558 |
Stability: | Stable under normal temperatures and pressures. |
Vapor Pressure: | 0.0486mmHg at 25°C |
GHS Hazard Statement: | H302 (99.07%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
20193780 | 20100701 | The role of Cys108 in Trigonopsis variabilis d-amino acid oxidase examined through chemical oxidation studies and point mutations C108S and C108D | Biochimica et biophysica acta |
Complexity: | 98 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 139.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 139.063328530 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 41.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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