Methyl 3-fluoro-2-hydroxybenzoate - ≥98% , CAS No.70163-98-3

CAS: 70163-98-3 Cat. No.: M194675 Fórmula: C₈H₇FO₃ Peso molecular: 170.14

GRADE & PURITY ≥98%

Synonyms

Methyl 3-fluoro-2-hydroxybenzoate # | Methyl 3-fluorosalicylate | 3-Fluoro-2-hydroxy-benzoic acid methyl ester | MFCD06203651 | 3-fluoro-hydroxy-benzoic acid methyl ester | SY102899 | Methyl 3-fluoro-2-hydroxybenzoate | methyl 3-fluoro-2-hydroxy-benzoate

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

Methyl 3-fluoro-2-hydroxybenzoate # | Methyl 3-fluorosalicylate | 3-Fluoro-2-hydroxy-benzoic acid methyl ester | MFCD06203651 | 3-fluoro-hydroxy-benzoic acid methyl ester | SY102899 | Methyl 3-fluoro-2-hydroxybenzoate | methyl 3-fluoro-2-hydroxy-benzoate

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: COC(=O)C1=C(C(=CC=C1)F)O
• IUPAC Name: methyl 3-fluoro-2-hydroxybenzoate
• InChIKey: NRGQRZHYRCJTKV-UHFFFAOYSA-N
• INCHI: 1S/C8H7FO3/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4,10H,1H3
• Isómeros SMILES: COC(=O)C1=C(C(=CC=C1)F)O
• Peso molecular: 170.14
• Reaxy-Rn: 2830433
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2830433&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzoic acid esters
          • Level6 o-Hydroxybenzoic acid esters

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzoic acid esters
• Direct Parent: o-Hydroxybenzoic acid esters
• Alternative Parents: Salicylic acid and derivatives 3-halobenzoic acids and derivatives O-fluorophenols Benzoyl derivatives Fluorobenzenes 1-hydroxy-4-unsubstituted benzenoids Aryl fluorides Vinylogous acids Methyl esters Monocarboxylic acids and derivatives Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-hydroxybenzoic acid ester - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Salicylic acid or derivatives - Benzoyl - 2-halophenol - 2-fluorophenol - 1-hydroxy-4-unsubstituted benzenoid - Fluorobenzene - Halobenzene - Phenol - Aryl fluoride - Aryl halide - Vinylogous acid - Methyl ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as o-hydroxybenzoic acid esters. These are benzoic acid esters where the benzene ring is ortho-substituted with a hydroxy 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

Propiedades químicas y físicas

• Peso molecular: 170.140 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 170.038 Da
• Monoisotopic Mass: 170.038 Da
• Topological Polar Surface Area: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 172.000
• 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

Preguntas frecuentes

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.

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 70163-98-3, the molecular formula is C8H7FO3, and the molecular weight is 170.14 g/mol. InChIKey NRGQRZHYRCJTKV-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.