518-02-5

Basic information

• Product Name: 1,2,5,6,7,8-hexahydrocyclohepta[fg]acenaphthylene
• CAS NO: 518-02-5
• Molecular Formula: C₁₆H₁₆
• Molecular Weight: 208.2982
• Mol File: 518-02-5.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 393°C at 760 mmHg
• Flash Point: 210.1°C
• Density: 1.146g/cm³
• Vapor Pressure: 4.97E-06mmHg at 25°C
• Refractive Index: 1.677
• CAS DataBase Reference: 1,2,5,6,7,8-hexahydrocyclohepta[fg]acenaphthylene(CAS DataBase Reference)
• NIST Chemistry Reference: 1,2,5,6,7,8-hexahydrocyclohepta[fg]acenaphthylene(518-02-5)
• EPA Substance Registry System: 1,2,5,6,7,8-hexahydrocyclohepta[fg]acenaphthylene(518-02-5)

Safety Data

• Hazardous Substances Data: 518-02-5(Hazardous Substances Data)

Usage

Chemical class

Polycyclic Aromatic Hydrocarbon (PAH)

Structure

Fused benzene rings

Physical state

White crystalline solid

Molecular weight

152.19 g/mol

Uses

a. Precursor in the production of dyes
b. Precursor in the production of pharmaceuticals
c. Precursor in the production of pesticides

Presence

Found in cigarette smoke and automobile exhaust

Health risks

Potential carcinogenic and mutagenic properties

Solubility

Moderately soluble in water

Stability

Stable at room temperature

Combustion or decomposition

Can undergo combustion or decomposition at higher temperatures, releasing toxic fumes and carbon monoxide

Environmental and health concerns

Requires careful handling and regulation due to potential risks

Upstream product

• 194-32-1 acepleidylene 
• 518-03-6 acepleiadiene 
• 6345-20-6 6,7-dihydrocycloheptacenaphthene-5,8-dione 
• 141-52-6 sodium ethanolate 
• 7803-57-8 hydrazine hydrate 
• 64-17-5 ethanol 
• 16294-60-3 4-acenaphthen-5-yl-4-oxo-butyric acid 
• 7504-38-3 4-acenaphthen-5-yl-4-oxo-butyric acid methyl ester 
• 83-32-9 acenaphthene 
• 344351-57-1 1,2,5,6,7,8-hexahydro-cyclohept[fg]acenaphthylene-5,8-diol 
• 19190-91-1 5,6-dibromoacenaphthene 
• 106-99-0 buta-1,3-diene 
• 23708-47-6 1,4-bis(bromomagnesium)butane 

Downstream Products

• 194-32-1 acepleidylene 

Relevant articles and documents

Synthesis method and derivation method of non-benzene type polycyclic aromatic hydrocarbon APD and derivative of non-benzene type polycyclic aromatic hydrocarbon APD

The invention discloses a synthesis method of non-benzene type polycyclic aromatic hydrocarbon APD , which comprises: (1) a coupling reaction: carrying out a reaction on 5, 6-disubstituted acenaphthene or acenaphthene, a C4 synthon, a transition metal catalyst, a ligand and an alkali in a solvent to obtain a compound B; and (2) dehydrogenation reaction: heating the compound B and an oxidizing agent in a solvent for reaction to obtain a product. According to the method, APD is efficiently synthesized through a two-step method, the total yield reaches up to 44% or above, gram-level synthesis of APD can be achieved, and a foundation is laid for further research and derivatization of APD. The invention also provides a derivation method of APD, a bromine-containing key compound is synthesized through bromination of APD, a foundation is laid for subsequent derivation reactions such as coupling and ring closing, and a series of diversified substituted APD derivatives with novel structures are synthesized through derivatization design. A series of organic conjugated molecules which are diversified in structure and take APD as cores are synthesized through pi expansion.