Ammonium benzoate - ACS , CAS No.1863-63-4

CAS: 1863-63-4 Cat. No.: A112561 Molecular Weight: 139.15 Beilstein Registry Number: 3634518 EC Number: 217-468-9
AVAILABLE TO ORDER
GRADE & PURITY ACS ? ACS grade — meets American Chemical Society specifications, the analytical benchmark in the US. Use for analytical and QC work needing ACS-defined purity.
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
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Size
Status
Price
Qty
500g
A112561-500g
2
$21.90
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Why this grade

ACS ACS for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Argon charged,Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

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
ACS
Storage
Argon charged, Room temperature
Shipped In
Normal
Grade
ACS
Names and Identifiers
Pubchem Sid504752714
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504752714
Canonical SmilesC1=CC=C(C=C1)C(=O)[O-].[NH4+]
IUPAC Nameazanium;benzoate
InChIKeyVWSRWGFGAAKTQG-UHFFFAOYSA-N
INCHI1S/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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentBenzoic 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 FrameworkAromatic 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
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

3 results found

Lot NumberCertificate TypeDateItem
I1825153Certificate of AnalysisMay 20, 2026 A112561
I2117311Certificate of AnalysisJul 10, 2025 A112561
I2117312Certificate of AnalysisJul 10, 2025 A112561
Chemical and Physical Properties
SolubilityIt is soluble in water, methanol insoluble in diethyl ether.
SensitivityLight sensitive,hygroscopic
Flash Point(°F)230°F
Flash Point(°C)110°C
Melt Point(°C)198°C
Molecular Weight139.150 g/mol
XLogP3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass139.063 Da
Monoisotopic Mass139.063 Da
Topological Polar Surface Area41.100 Ų
Heavy Atom Count10
Formal Charge0
Complexity98.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Solution Calculators
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