3-Hydroxybenzoic acid - ≥98% , CAS No.99-06-9

CAS: 99-06-9 Cat. No.: H104349 Summenformel: C₇H₆O₃ Molekulargewicht: 138.12 Beilstein Registry Number: 508160 EG-Nummer: 202-726-5

QUALITÄT & REINHEIT ≥98%

Synonyms

meta-hydroxybenzoate | 713EC407-4844-477D-8207-DBD66E398D2C | C00587 | 3-Carboxyphenol | NSC55746 | NSC-55746 | m-salicylate | NCGC00248676-01 | EINECS 202-726-5 | PD144440 | SCHEMBL40078 | EN300-17318 | HY-W004049 | Tox21_200527 | BDBM50336491 | 3-Hydrox

Storage

Protected from light,Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

meta-hydroxybenzoate | 713EC407-4844-477D-8207-DBD66E398D2C | C00587 | 3-Carboxyphenol | NSC55746 | NSC-55746 | m-salicylate | NCGC00248676-01 | EINECS 202-726-5 | PD144440 | SCHEMBL40078 | EN300-17318 | HY-W004049 | Tox21_200527 | BDBM50336491 | 3-Hydrox

Spezifikationen & Reinheit

≥98%

Storage

Protected from light,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488180421

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180421

Kanonisches Lächeln

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

IUPAC Name

3-hydroxybenzoic acid

InChIKey

IJFXRHURBJZNAO-UHFFFAOYSA-N

INCHI

1S/C7H6O3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H,(H,9,10)

Isomere SMILES

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

WGK Deutschland

3

RTECS

DH1924980

Molekulargewicht

138.12

Beilstein

508160

Reaxy-Rn

508160

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=508160&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxybenzoic acid derivatives
• Alternative Parents: Benzoic acids Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Monocarboxylic acids and derivatives Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzoic acid - Benzoic acid - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hydroxybenzoic acid derivatives. These are compounds containing a hydroxybenzoic acid (or a derivative), which is a benzene ring bearing a carboxyl and a hydroxyl groups.
• External Descriptors: monohydroxybenzoic acid

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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CA2 Tclin Carbonic anhydrase 2 (1 Activities)

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Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

VDR Tclin Vitamin D receptor (26531 Activities)

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CA6 Tclin Carbonic anhydrase VI (993 Activities)

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CA1 Tclin Carbonic anhydrase I (13240 Activities)

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NEU3 Tchem Sialidase 3 (398 Activities)

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CA12 Tclin Carbonic anhydrase XII (6231 Activities)

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CA9 Tclin Carbonic anhydrase IX (8255 Activities)

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Ptpn1 Protein-tyrosine phosphatase 1B (270 Activities)

Discover Target: Ptpn1

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Hcar2 Hydroxycarboxylic acid receptor 2 (55 Activities)

Discover Target: Hcar2

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Carbonic anhydrase (69 Activities)

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Ralstonia solanacearum (520 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Mus musculus (284745 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water;Solubility in Methanol:almost transparency
• Empfindlichkeit: Light sensitive.
• Flammpunkt (°F): 428°F
• Flammpunkt (°C): 220℃
• Schmelzpunkt (°C): 201-207℃
• Molekulargewicht: 138.120 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 138.032 Da
• Monoisotopic Mass: 138.032 Da
• Topological Polar Surface Area: 57.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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

Häufig gestellte Fragen

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

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 99-06-9, the molecular formula is C7H6O3, and the molecular weight is 138.12 g/mol. InChIKey IJFXRHURBJZNAO-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.