1-Chloronaphthalene

Base Information

• Chemical Name: 1-Chloronaphthalene
• CAS No.: 90-13-1
• Molecular Formula: C10H7Cl
• Molecular Weight: 162.619
• European Community (EC) Number: 201-967-3,247-120-1
• ICSC Number: 1707
• NSC Number: 6166
• UN Number: 3082
• UNII: K4OIF2EC56
• DSSTox Substance ID: DTXSID2024791
• Nikkaji Number: J3.553J
• Wikipedia: 1-Chloronaphthalene
• Wikidata: Q161607
• ChEMBL ID: CHEMBL195338
• Mol file: 90-13-1.mol

Synonyms:1-chloronaphthalene;alpha-chloronaphthalene;xilamon;xylamon

Chemical Property of 1-Chloronaphthalene

Chemical Property:

• Appearance/Colour: colourless oily liquid
• Vapor Pressure: 5.35E-10mmHg at 25°C
• Melting Point: -20 °C
• Refractive Index: n20/D 1.632(lit.)
• Boiling Point: 260.3 °C at 760 mmHg
• Flash Point: 121.1 °C
• PSA: 0.00000
• Density: 1.2 g/cm³
• LogP: 3.49320
• Water Solubility.: insoluble. <0.1 g/100 mL at 20℃
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 162.0236279
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn,Xi,N,T
• Hazard Codes: Xn:Harmful;;
• Statements: R22:; R36/37/38:; R51/53:
• Safety Statements: S26:; S29:; S37/39:; S61:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halowaxes
• Canonical SMILES: C1=CC=C2C(=C1)C=CC=C2Cl
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C; on spraying or dispersing, however, much faster.
• Effects of Short Term Exposure: The substance is irritating to the eyes, skin and respiratory tract.
• Effects of Long Term Exposure: The substance may have effects on the liver. This may result in impaired functions.

Technology Process of 1-Chloronaphthalene

There total 93 articles about 1-Chloronaphthalene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

C24H17NO2 (115975-20-7) → benzophenone (119-61-9) + hexachloroethane (67-72-1) + benzophenone azine (983-79-9) + 1-Chloronaphthalene (90-13-1)

Guidance literature:

With tetrachloromethane; Yields of byproduct given; Ambient temperature; Irradiation;

DOI:10.1016/S0040-4039(00)82327-8

Reference yield:

naphthalene (91-20-3,71998-51-1,72931-45-4) → 1,4-dichloronaphthalene (1825-31-6) + 1-Chloronaphthalene (90-13-1)

Guidance literature:

With sulfuryl dichloride; diethyl ether;

Reference yield:

sulfuryl dichloride (7791-25-5) + naphthalene (91-20-3,71998-51-1,72931-45-4) + diethyl ether (60-29-7,927820-24-4) → 1,4-dichloronaphthalene (1825-31-6) + 1-Chloronaphthalene (90-13-1)

Guidance literature:

upstream raw materials:

tetrachloromethane

[1]naphthyl-trityl-diazene

naphthalene

α-naphthol

Downstream raw materials:

2-phenylnaphthalene

1-phenylnaphthalene

1-naphthalen-1-yl-piperidine

N-(2-naphthyl)piperidine

Refernces

• 1、 -. "Method for preparing 1 - chloronaphthalene". Paragraph 0013-0022. . Retrieved 2021/03/23.
• 2、 Nishii, Yuji,Ikeda, Mitsuhiro,Hayashi, Yoshihiro,Kawauchi, Susumu,Miura, Masahiro. "Triptycenyl Sulfide: A Practical and Active Catalyst for Electrophilic Aromatic Halogenation Using N-Halosuccinimides". supporting information. p. 1621 - 1629. Retrieved 2020/02/04.