113182

1-Phenylheptane

98%

• Synonym(s): Heptylbenzene
• Linear Formula: C₆H₅(CH₂)₆CH₃
• CAS Number: 1078-71-3
• Molecular Weight: 176.30
• Beilstein/REAXYS Number: 1905782
• EC Number: 214-084-3
• MDL number: MFCD00009545
• UNSPSC Code: 12352100
• PubChem Substance ID: 24847139
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 98%
• refractive index: n20/D 1.485 (lit.)
• bp: 233 °C (lit.)
• mp: −48 °C (lit.)
• density: 0.86 g/mL at 25 °C (lit.)
• functional group: phenyl
• SMILES string: CCCCCCCc1ccccc1
• 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: LBNXAWYDQUGHGX-UHFFFAOYSA-N

Description

General description

Heptylbenzene (1-Phenylheptane) forms charge-transfer complexes with fluoranil and 1,3,5-trinitrobenzene.

Application

1-Phenylheptane is used in zirconia and titania based stationary phase capillary HTLC, to separate alkyl benzene derivatives using an acetonitrile-water eluent.

Safety Information

• pictograms: GHS09
• signalword: Warning
• hcodes: H410
• pcodes: P273 - P391 - P501
• Hazard Classifications: Aquatic Acute 1 - Aquatic Chronic 1
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 203.0 °F - closed cup
• flash_point_c: 95 °C - closed cup
• ppe: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)