2,3-Dihydrobenzofuran-5-carboxaldehyde - ≥97% , CAS No.55745-70-5

CAS: 55745-70-5 Cat. No.: D111411 Molecular Weight: 148.16 Beilstein Registry Number: 17(4)4966 EC Number: 259-788-1

GRADE & PURITY ≥97%

Synonyms

2,3-Dihydro-5-formylbenzofuran | WEBVDBDZSOJGPB-UHFFFAOYSA-N | 1,1-Thiobis(2-methyl-4-hydroxy-5-tert-butylbenzene) | BCP18922 | 2,3-Dihydro-benzofuran-5carbaldehyde | 2,3-dihydrobenzofuran-5-carbaldehyde | EN300-43407 | STL555048 | 2,3-dihydro-5-benzofura

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

2, 3-Dihydro-5-formylbenzofuran | WEBVDBDZSOJGPB-UHFFFAOYSA-N | 1, 1-Thiobis(2-methyl-4-hydroxy-5-tert-butylbenzene) | BCP18922 | 2, 3-Dihydro-benzofuran-5carbaldehyde | 2, 3-dihydrobenzofuran-5-carbaldehyde | EN300-43407 | STL555048 | 2, 3-dihydro-5-benzofura

Specifications & Purity

≥97%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504760030
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760030
• Canonical Smiles: C1COC2=C1C=C(C=C2)C=O
• IUPAC Name: 2,3-dihydro-1-benzofuran-5-carbaldehyde
• InChIKey: WEBVDBDZSOJGPB-UHFFFAOYSA-N
• INCHI: 1S/C9H8O2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-2,5-6H,3-4H2
• Isomeric SMILES: C1COC2=C1C=C(C=C2)C=O
• WGK Germany: 2
• Molecular Weight: 148.16
• Beilstein: 17(4)4966
• Reaxy-Rn: 124062
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=124062&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Coumarans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Coumarans
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarans
• Alternative Parents: Aryl-aldehydes Alkyl aryl ethers Benzenoids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumaran - Aryl-aldehyde - Alkyl aryl ether - Benzenoid - Oxacycle - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as coumarans. These are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring.
• 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
• Refractive Index: 1.6
• Flash Point(°F): >230 °F
• Flash Point(°C): >110 °C
• Boil Point(°C): 96°C/0.3mmHg
• Molecular Weight: 148.160 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 148.052 Da
• Monoisotopic Mass: 148.052 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 156.000
• 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