Benzoic acid - PT,99.95%-100.5% (alkalimetric) , CAS No.65-85-0

CAS: 65-85-0 Cat. No.: B116258 分子式: C₇H₆O₂ 分子量: 122.12 Beilstein Registry Number: 636131 EC番号: 200-618-2

グレード＆純度 PT,99.95%-100.5% (alkalimetric)

Synonyms

Eyelids Wipes | Benzoic acid (USP:JAN) | Benzoic acid [USP:JAN] | Benzenecarboxylate | Benzoic Acid 2000 microg/mL in Dichloromethane | FEMA No. 2131 | NSC 149 | Acid, Benzoic | AI3-03710 | Benzoicum Ac | CARBOXYLBENZENE | BENZOIC ACID [USP-RS]

Storage

Room temperature,Desiccated

Shipped In

Normal

仕様

同義語

Eyelids Wipes | Benzoic acid (USP:JAN) | Benzoic acid [USP:JAN] | Benzenecarboxylate | Benzoic Acid 2000 microg/mL in Dichloromethane | FEMA No. 2131 | NSC 149 | Acid, Benzoic | AI3-03710 | Benzoicum Ac | CARBOXYLBENZENE | BENZOIC ACID [USP-RS]

仕様と純度

PT,99.95%-100.5% (alkalimetric)

保管条件

Room temperature,Desiccated

入荷

Normal

名前と識別子

カノニカル・スマイル

C1=CC=C(C=C1)C(=O)O

IUPAC Name

benzoic acid

InChIKey

WPYMKLBDIGXBTP-UHFFFAOYSA-N

INCHI

1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)

異性体SMILES

C1=CC=C(C=C1)C(=O)O

WGKドイツ

1

RTECS

DG0875000

UN番号

UN 1268

包装グループ

I

分子量

122.12

Beilstein

636131

Reaxy-Rn

636131

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=636131&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Benzoyl derivatives Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzoic acid - Benzoyl - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• 説明: 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: benzoic acids

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

化学的性質と物理的性質

• 感度: Moisture sensitive.
• 屈折率: 1.504
• 沸点（°C）: 249°C
• 融点（°C）: 121-125℃
• 分子量: 122.120 g/mol
• XLogP3: 1.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 122.037 Da
• Monoisotopic Mass: 122.037 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 103.000
• 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: 1

よくある質問

How should this product be stored?

Store at room temperature, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 65-85-0, the molecular formula is C7H6O2, and the molecular weight is 122.12 g/mol. InChIKey WPYMKLBDIGXBTP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.