CAS 1078-71-3

Heptylbenzene

Description:

Heptylbenzene, with the CAS number 1078-71-3, is an organic compound characterized by a benzene ring substituted with a heptyl group, which consists of a straight-chain alkane with seven carbon atoms. This compound is a colorless to pale yellow liquid at room temperature and is known for its hydrophobic nature, making it insoluble in water but soluble in organic solvents. Heptylbenzene exhibits a relatively high boiling point compared to lighter aromatic hydrocarbons due to the increased molecular weight and the presence of the heptyl chain. It is primarily used in research and industrial applications, particularly in the synthesis of other chemical compounds and as a solvent. The compound's structure contributes to its chemical stability, although it may undergo reactions typical of aromatic compounds, such as electrophilic substitution. Safety data indicates that, like many organic solvents, heptylbenzene should be handled with care, as it may pose health risks upon inhalation or skin contact. Proper safety measures, including the use of personal protective equipment, are recommended when working with this substance.

Formula: C₁₃H₂₀

InChI: InChI=1S/C13H20/c1-2-3-4-5-7-10-13-11-8-6-9-12-13/h6,8-9,11-12H,2-5,7,10H2,1H3

InChI key: InChIKey=LBNXAWYDQUGHGX-UHFFFAOYSA-N

SMILES: C(CCCCCC)C1=CC=CC=C1

Synonyms:

• 1-Heptylbenzene
• 1-Phenylheptane
• 1-Phenylheptane, (n-Heptylbenzene)
• Benzene, heptyl-
• Heptane, 1(or 7)-phenyl-
• Heptane, 1-phenyl-
• NSC 97413
• n-Heptylbenzene
• Heptylbenzene

Heptylbenzene

CAS: 1078-71-3

Formula: C₁₃H₂₀

Purity: >97.0%(GC)

Color and Shape: Colorless to Almost colorless clear liquid

Molecular weight: 176.30

Ref: 3B-H0046

n-Heptylbenzene, 98%

CAS: 1078-71-3

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₁₃H₂₀

Purity: 98%

Color and Shape: Clear colorless to yellow, Liquid

Molecular weight: 176.30

Ref: 02-A12969

1-Heptylbenzene

CAS: 1078-71-3

Formula: C₁₃H₂₀

Purity: 99%

Color and Shape: Liquid

Molecular weight: 176.2979

Ref: IN-DA009PHH

N-Heptylbenzene

CAS: 1078-71-3

N-Heptylbenzene

Purity: 99%

Molecular weight: 176.30g/mol

Ref: 54-OR1014383

Heptylbenzene

CAS: 1078-71-3

Purity: 98%

Molecular weight: 176.3029938

Ref: 10-F620081

Heptylbenzene

Controlled Product

CAS: 1078-71-3

Applications Heptylbenzene is a useful synthetic intermediate. It is used in zirconia and titania based stationary phase capillary HTLC, to separate alkyl benzene derivatives using an acetonitrile-water eluent. It can also be used to prepare 3-chloropyridine-stabilized palladium imidazolylidene complexes as catalysts for Suzuki and Negishi cross-coupling reactions. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the package References Kephart, T., et al.: Anal. Chim. Acta., 414, 71 (2000); O’Brien, C., et al.: Chem. Eur. J., 12, 4743 (2006)

Formula: C₁₃H₂₀

Color and Shape: Neat

Molecular weight: 176.30

Ref: TR-H282910