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Ammonium benzoate

CAT: 0804-HY-W015761-01Size: 100 gDry Ice: NoHazardous: No
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CAT#:0804-HY-W015761-01Size:100 g
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Description
Ammonium benzoate is the ammonium salt of benzoic acid, which is used as a preservative in some adhesives and rubber emulsions, and is also a commonly used chemical synthesis intermediate.
CAS Number
1863-63-4
Product Name Alternative
Benzoic acid, ammonium
UNSPSC
12352200
Hazard Statement
H302
Target
Biochemical Assay Reagents
Type
Biochemical Assay Reagents
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/ammonium-benzoate.html
Purity
99.79
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC=CC=C1)O.N
Molecular Formula
C7H9NO2
Molecular Weight
139.15
Precautions
H302
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Biochemical Assay Reagents
Clinical Information
No Development Reported

Chemical Information

Ammonium Benzoate

Ammonium benzoate appears as a white crystalline solid. Soluble in water. The primary hazard is the threat to the environment. Immediate steps should be taken to limit spread to the environment. Used in medicine and as a food preservative.

CAS Number1863-63-4
PubChem CID15830
IUPAC Nameazanium benzoate
Molecular FormulaC7H9NO2
Molecular Weight139.15
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity98
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
InChIKey
VWSRWGFGAAKTQG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ammonium Benzoate
CAS: 1863-63-4
CID: 15830
Formula: C7H9NO2
MW: 139.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.15
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass139.063328530
Monoisotopic Mass139.063328530
Topological Polar Surface Area41.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity98
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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