1-Phenylheptane

• CAS: 1078-71-3
• Catalog Number: ACM1078713
• Category: Arenes
• Molecular Weight: 176.30
• Hazard Statements: H315
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of 1-Phenylheptane?

The molecular formula of 1-Phenylheptane is C13H20.

What is the molecular weight of 1-Phenylheptane?

The molecular weight of 1-Phenylheptane is 176.30 g/mol.

What are some synonyms of 1-Phenylheptane?

Some synonyms of 1-Phenylheptane are Heptylbenzene, n-Heptylbenzene, and Benzene, heptyl.

When was 1-Phenylheptane created on PubChem?

1-Phenylheptane was created on March 26, 2005.

What is the IUPAC name of 1-Phenylheptane?

The IUPAC name of 1-Phenylheptane is heptylbenzene.

What is the InChIKey of 1-Phenylheptane?

The InChIKey of 1-Phenylheptane is LBNXAWYDQUGHGX-UHFFFAOYSA-N.

What is the Canonical SMILES representation of 1-Phenylheptane?

The Canonical SMILES representation of 1-Phenylheptane is CCCCCCCC1=CC=CC=C1.

What is the exact mass of 1-Phenylheptane?

The exact mass of 1-Phenylheptane is 176.156500638 g/mol.

How many rotatable bonds does 1-Phenylheptane have?

1-Phenylheptane has 6 rotatable bonds.

Is 1-Phenylheptane a covalently-bonded unit?

Yes, 1-Phenylheptane is a covalently-bonded unit.

Synthetic Use

Upstream Synthesis Route 1

• 1671-75-6

• 1078-71-3

Reference: [1]Schmidt; Hopp; Schoeller
[Chemische Berichte, 1939, vol. 72, p. 1893,1894]

Downstream Synthesis Route 1

• 1078-71-3

• 76287-49-5

Reference: [1] Journal of Materials Chemistry, 2001, vol. 11, # 4, p. 1063 - 1071

Downstream Synthesis Route 2

• 108-31-6
• 1078-71-3

• 41297-14-7

Reference: [1]Kudo, Yudai; Endo, Satoshi; Fujita, Mei; Ota, Atsumi; Kamatari, Yuji O.; Tanaka, Yoshimasa; Ishikawa, Takeshi; Ikeda, Hayato; Okada, Takuya; Toyooka, Naoki; Fujimoto, Naohiro; Matsunaga, Toshiyuki; Ikari, Akira
[Journal of Medicinal Chemistry, 2022, vol. 65, # 6, p. 4878 - 4892]
[2]Kirchner; Bailey; Cavallito
[Journal of the American Chemical Society, 1949, vol. 71, p. 1210]

Downstream Synthesis Route 3

• 1078-71-3

• 5617-41-4

Reference: [1]Sawama, Yoshinari; Mori, Misato; Yamada, Tsuyoshi; Monguchi, Yasunari; Sajiki, Hironao
[Advanced Synthesis and Catalysis, 2015, vol. 357, # 16-17, p. 3667 - 3670]

* For details of the synthesis route, please refer to the original source to ensure accuracy.