Ammonium benzoate - AR, ≥99% , CAS No.1863-63-4

CAS: 1863-63-4 Cat. No.: A112559 Molecular Weight: 139.15 Beilstein Registry Number: 3634518 EC Number: 217-468-9

GRADE & PURITY AR, ≥99%

Synonyms

Ammonium benzoate (USP) | AI3-07834 | Benzoic acid, ammonium salt (1:1) | AC80WD7GPF | FT-0622307 | SCHEMBL36721 | Ammonii benzoas | Benzoic acid, ammonium salt | DTXCID2021602 | Vulnoc AB | FT-0653435 | UNII-AC80WD7GPF | EINECS 217-468-9 | Ammonium Benzo

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

application：

It is soluble in water, methanol insoluble in diethyl ether.

Ammonium benzoate is used predominantly in industries which acts as a corrosion inhibitors and anti-scaling agents . It is also used as paint additives and coating additives. Other consumer uses include cleaning and furnishing Care products, paints and coatings, personal care products, water treatment products. Ammonium benzoate is also used as chemical analysis reagents, in electronics industry, used for the production of electrolytic capacitors and also used in pharmaceutical industries. Used as adhesives, metal rust treatment and rubber additives.

Specifications

Synonyms

Ammonium benzoate (USP) | AI3-07834 | Benzoic acid, ammonium salt (1:1) | AC80WD7GPF | FT-0622307 | SCHEMBL36721 | Ammonii benzoas | Benzoic acid, ammonium salt | DTXCID2021602 | Vulnoc AB | FT-0653435 | UNII-AC80WD7GPF | EINECS 217-468-9 | Ammonium Benzo

Specifications & Purity

AR, ≥99%

Storage

Argon charged, Room temperature

Shipped In

Normal

Grade

AR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: C1=CC=C(C=C1)C(=O)[O-].[NH4+]
• IUPAC Name: azanium;benzoate
• InChIKey: VWSRWGFGAAKTQG-UHFFFAOYSA-N
• INCHI: 1S/C7H6O2.H3N/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);1H3
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)[O-].[NH4+]
• WGK Germany: 3
• RTECS: DG3378000
• UN Number: 3077
• Packing Group: III
• Molecular Weight: 139.15
• Beilstein: 3634518
• Reaxy-Rn: 3634518
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3634518&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Benzoyl derivatives Carboxylic acid salts Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic salts Organic oxides Organic nitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Benzoyl - Carboxylic acid salt - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Moisture sensitive
• Flash Point(°F): 230°F
• Flash Point(°C): 110°C
• Melt Point(°C): 198°C
• Molecular Weight: 139.150 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 139.063 Da
• Monoisotopic Mass: 139.063 Da
• Topological Polar Surface Area: 41.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 98.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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