2-Fluoro-4-hydroxybenzaldehyde - ≥97% , CAS No.348-27-6

CAS: 348-27-6 Cat. No.: F124151 Formula: C₇H₅FO₂ Molecular Weight: 140.11 EC Number: 642-692-2

GRADE & PURITY ≥97%

Synonyms

SY030021 | MFCD06797918 | FT-0601375 | J-509400 | 2-Fluoro-4-hydroxybenzaldehyde, AldrichCPR | BBL100535 | Benzaldehyde, 2-fluoro-4-hydroxy- | 2-Fluoro-4-hydroxybenzaldehyde # | DTXSID30343078 | EN300-111550 | PS-9051 | Z1201623850 | A6112 | STL554329 | A

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

SY030021 | MFCD06797918 | FT-0601375 | J-509400 | 2-Fluoro-4-hydroxybenzaldehyde, AldrichCPR | BBL100535 | Benzaldehyde, 2-fluoro-4-hydroxy- | 2-Fluoro-4-hydroxybenzaldehyde # | DTXSID30343078 | EN300-111550 | PS-9051 | Z1201623850 | A6112 | STL554329 | A

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

Pubchem Sid

488190477

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488190477

Canonical Smiles

C1=CC(=C(C=C1O)F)C=O

IUPAC Name

2-fluoro-4-hydroxybenzaldehyde

InChIKey

ONRPXRPUBXXCCM-UHFFFAOYSA-N

INCHI

1S/C7H5FO2/c8-7-3-6(10)2-1-5(7)4-9/h1-4,10H

Isomeric SMILES

C1=CC(=C(C=C1O)F)C=O

Molecular Weight

140.11

Reaxy-Rn

3235346

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3235346&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Aldehydes
          • Level6 Aryl-aldehydes
            • Level7 Benzaldehydes
              • Level8 Hydroxybenzaldehydes

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Aldehydes - Aryl-aldehydes - Benzaldehydes
• Direct Parent: Hydroxybenzaldehydes
• Alternative Parents: M-fluorophenols Benzoyl derivatives Fluorobenzenes 1-hydroxy-2-unsubstituted benzenoids Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hydroxybenzaldehyde - Benzoyl - 3-fluorophenol - 3-halophenol - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous halide - Organofluoride - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxybenzaldehydes. These are organic aromatic compounds containing a benzene ring carrying an aldehyde group and a hydroxyl 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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: Air sensitive;Light sensitive
• Melt Point(°C): 168-170°C
• Molecular Weight: 140.110 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 140.027 Da
• Monoisotopic Mass: 140.027 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 127.000
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥97% 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 348-27-6, the molecular formula is C7H5FO2, and the molecular weight is 140.11 g/mol. InChIKey ONRPXRPUBXXCCM-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.