Benzoic acid - Standard for GC, ≥99.9%(GC) , CAS No.65-85-0

CAS: 65-85-0 Cat. No.: B116254 Formula: C₇H₆O₂ Peso molecolare: 122.12 Beilstein Registry Number: 636131 Numero EC: 200-618-2

QUALITÀ & PUREZZA Standard for GC, ≥99.9%(GC)

Synonyms

Eyelids Wipes | Benzoic acid (USP:JAN) | Benzoic acid [USP:JAN] | NSC7918 | 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

Shipped In

Normal

Panoramica

Benzoic acid is an organic aromatic monocarboxylic acid. It occurs as colorless leaflets or needles. It reacts with hydrogenating agents to form hexahydrobenzoic acid. It decomposes in the presence of lime or alkali (by heating) to form benzene and carbon dioxide. It can be synthesized by the air oxidation of toluene catalyzed by cobalt or manganese.

Application

Benzoic acid can be used as a standard for quantitative and calorimetric studies. It can be used as an intermediate in the synthesis of the following products:
Paints, pigments, coatings, wetting agents, aromatic compounds, benzoyl chloride, benzyl trichloride

Specifiche

Sinonimi

Eyelids Wipes | Benzoic acid (USP:JAN) | Benzoic acid [USP:JAN] | NSC7918 | Benzenecarboxylate | Benzoic Acid 2000 microg/mL in Dichloromethane | FEMA No. 2131 | NSC 149 | Acid, Benzoic | AI3-03710 | Benzoicum Ac | CARBOXYLBENZENE | BENZOIC ACID [USP-RS]

Specifiche e purezza

Standard for GC, ≥99.9%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Grado

Standard for GC

Purezza

≥99.9%(GC)

Nomi e identificatori

Pubchem Sid

508816424

Sorrisi canonici

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)

Isomeri SMILES

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

WGK Germania

1

RTECS

DG0875000

Numero UN

UN 1268

Gruppo di imballaggio

I

Peso molecolare

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
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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
• Descrizione: 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

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PDE5A Tclin Phosphodiesterase 5A (5113 Activities)

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F2 Tclin Thrombin (11687 Activities)

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CA2 Tclin Carbonic anhydrase II (17698 Activities)

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ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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HMGCR Tclin HMG-CoA reductase (2475 Activities)

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INSR Tclin Insulin receptor (5558 Activities)

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PGR Tclin Progesterone receptor (8562 Activities)

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ADRB2 Tclin Beta-2 adrenergic receptor (11824 Activities)

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CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

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ADRA2A Tclin Alpha-2a adrenergic receptor (9450 Activities)

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AR Tclin Androgen Receptor (11781 Activities)

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CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 Activities)

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ACE Tclin Angiotensin-converting enzyme (1423 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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GABRA1 Tclin GABA receptor alpha-1 subunit (399 Activities)

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CNR1 Tclin Cannabinoid CB1 receptor (20913 Activities)

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bla OXA-48 (65 Activities)

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Neofusicoccum ribis (37 Activities)

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SARS-CoV-2 (38078 Activities)

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Moisture sensitive.
• Indice di rifrazione: 1.504
• Punto di ebollizione (°C): 249°C
• Punto di fusione (°C): 121-125℃
• Peso molecolare: 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