3-Cyclohexene-1-carboxaldehyde - ≥98%(GC) , CAS No.100-50-5

CAS: 100-50-5 Cat. No.: C154037 Summenformel: C₇H₁₀O Molekulargewicht: 110.16 Beilstein Registry Number: 774001 EG-Nummer: 202-858-3

GRADE & PURITY ≥98%(GC)

Synonyms

AKOS000119878 | EINECS 215-315-0 | HSDB 5334 | W-108957 | Benzaldehyde, tetrahydro- | 4-Formyl-1-cyclohexene | BRN 0774001 | SCHEMBL42869 | Cyclohexene-4-carboxaldehyde | 3-Cyclohexene-1-carbaldehyde | 3-Cyclohexene-1-carboxaldehyde, 97% | STK397283 | STR

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice,FedEx DG Service

Specifications

Synonyme

AKOS000119878 | EINECS 215-315-0 | HSDB 5334 | W-108957 | Benzaldehyde, tetrahydro- | 4-Formyl-1-cyclohexene | BRN 0774001 | SCHEMBL42869 | Cyclohexene-4-carboxaldehyde | 3-Cyclohexene-1-carbaldehyde | 3-Cyclohexene-1-carboxaldehyde, 97% | STK397283 | STR

Spezifikationen & Reinheit

≥98%(GC)

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice,FedEx DG Service

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 508809013
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508809013
• Kanonisches Lächeln: C1CC(CC=C1)C=O
• IUPAC Name: cyclohex-3-ene-1-carbaldehyde
• InChIKey: DCFDVJPDXYGCOK-UHFFFAOYSA-N
• INCHI: 1S/C7H10O/c8-6-7-4-2-1-3-5-7/h1-2,6-7H,3-5H2
• Isomere SMILES: C1CC(CC=C1)C=O
• WGK Deutschland: 1
• RTECS: GW2800000
• UN-Nummer: 2498
• Verpackungsgruppe: III
• Molekulargewicht: 110.16
• Beilstein: 774001
• Reaxy-Rn: 774001
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=774001&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organic oxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: Organic oxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic oxides
• Alternative Parents: Hydrocarbon derivatives Aldehydes
• Molecular Framework: Aliphatic homomonocyclic compounds
• Substituents: Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aldehyde - Aliphatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water; Soluble in Methanol,Acetone
• Empfindlichkeit: Air Sensitive,Heat Sensitive
• Brechungsindex: 1.47
• Flammpunkt (°F): 134.6 °F
• Flammpunkt (°C): 57 °C
• Siedepunkt (°C): 164 °C
• Molekulargewicht: 110.150 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 110.073 Da
• Monoisotopic Mass: 110.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 105.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1