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

CAS: 100-50-5 Cat. No.: C154037 Formule: C₇H₁₀O Poids moléculaire: 110.16 Beilstein Registry Number: 774001 Numéro CE: 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

Synonymes

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

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice,FedEx DG Service

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

508809013

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508809013

Sourires canoniques

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

Isomères SMILES

C1CC(CC=C1)C=O

WGK Allemagne

1

RTECS

GW2800000

Numéro ONU

2498

Groupe d'emballage

III

Poids moléculaire

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
    • Classe Organic oxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: 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
• Description: 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

Propriétés chimiques et physiques

• Solubilité: Slightly soluble in water; Soluble in Methanol,Acetone
• Sensibilité: Air Sensitive,Heat Sensitive
• Indice de réfraction: 1.47
• Point d'éclair (°F): 134.6 °F
• Point d'éclair (°C): 57 °C
• Point d'ébullition (°C): 164 °C
• Poids moléculaire: 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