2-Chloronaphthalene

Base Information

• Chemical Name: 2-Chloronaphthalene
• CAS No.: 91-58-7
• Molecular Formula: C10H7Cl
• Molecular Weight: 162.619
• European Community (EC) Number: 202-079-9
• ICSC Number: 1708
• UN Number: 3077
• UNII: 49O81U3ITI
• DSSTox Substance ID: DTXSID8023971
• Nikkaji Number: J3.558K
• Wikipedia: 2-Chloronaphthalene
• Wikidata: Q18923298
• ChEMBL ID: CHEMBL372646
• Mol file: 91-58-7.mol

Synonyms:2-chloronaphthalene

Chemical Property of 2-Chloronaphthalene

Chemical Property:

• Appearance/Colour: white to almost white crystalline powder
• Vapor Pressure: 0.0253mmHg at 25°C
• Melting Point: 57-60 °C
• Refractive Index: 1.642
• Boiling Point: 256 °C at 760 mmHg
• Flash Point: 115.2 °C
• PSA: 0.00000
• Density: 1.2656 g/cm³
• LogP: 3.49320
• Water Solubility.: insoluble
• XLogP3: 4.1
• 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): Xi,T,F
• Hazard Codes: Xi:Irritant
• Statements: R36/37/38:
• Safety Statements: S26:; S37/39:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Halowaxes
• Canonical SMILES: C1=CC=C2C=C(C=CC2=C1)Cl
• 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.
• Use Description: 2-Chloronaphthalene is a chemical compound with applications in various fields. In the field of organic synthesis and chemistry, it serves as a valuable starting material and intermediate for the creation of complex organic molecules, including dyes, pharmaceuticals, and agrochemicals. Its unique chemical structure allows chemists to introduce specific functional groups and structural motifs into target molecules, facilitating the development of various organic compounds. In the industrial sector, 2-Chloronaphthalene can be used as a precursor in the production of certain chemicals and materials, including the synthesis of specialty chemicals and resins. Additionally, it may find utility in research and development efforts across diverse scientific disciplines, ranging from chemical synthesis to materials science. Its role and significance vary depending on specific research or industrial requirements within each field, highlighting its potential versatility and importance in advancing chemical synthesis and materials innovation.

Technology Process of 2-Chloronaphthalene

There total 80 articles about 2-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: 87.0%

C24H17NO2 (115975-21-8) → benzophenone (119-61-9) + hexachloroethane (67-72-1) + 2-chloronaphthalene (91-58-7) + benzophenone azine (983-79-9)

Guidance literature:

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

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

Reference yield: 70.0%

6-chloro-1,2,3,4-tetrahydronaphthalene (35337-44-1) → 2-chloronaphthalene (91-58-7) + hydrogen (1333-74-0)

Guidance literature:

With tetrakis(acetonitrile)palladium(II) bis(tetrafluoroborate); C₂₁H₁₃F₃NO₄PS₂; 9-(2-mesityl)-10-methylacridinium perchlorate; In dichloromethane; at 20 ℃; Irradiation; Inert atmosphere;

DOI:10.1021/jacs.7b00253

Reference yield: 63.0%

1-(((3,5-dimethylisoxazol-4-yl)sulfonyl)oxy)naphthalene-2-diazonium tetrafluoroborate → 2-chloronaphthalene (91-58-7) + 1-(3,5-dimethylisoxazol-4-yl)naphthalen-2-ol + naphthalen-2-yl 3,5-dimethylisoxazole-4-sulfonate + (3aR*,11cR*)-3,11c-dimethyl-3a,11c-dihydronaphtho[1',2':5,6][1,2]oxathiino[3,4-d]isoxazole-4,4-dioxide

Guidance literature:

With hydrogenchloride; titanium(III) chloride; In water; acetone; at 0 - 20 ℃; for 1.5h; Inert atmosphere; Sealed tube;

DOI:10.1016/j.tet.2019.03.015

upstream raw materials:

tetrachloromethane

2-naphthoic peroxyanhydride

[2]naphthyl-trityl-diazene

para-tert-butylphenol

Downstream raw materials:

1-naphthalen-1-yl-piperidine

N-(2-naphthyl)piperidine

2-(7-chloro-[1]naphthoyl)-benzoic acid

2-(6-chloro-[1]naphthoyl)-benzoic acid

Refernces

• 1、 Fuse, Hiromu,Kojima, Masahiro,Mitsunuma, Harunobu,Kanai, Motomu. "Acceptorless Dehydrogenation of Hydrocarbons by Noble-Metal-Free Hybrid Catalyst System". supporting information. p. 2042 - 2045. Retrieved 2018/04/16.
• 2、 Kato, Shota,Saga, Yutaka,Kojima, Masahiro,Fuse, Hiromu,Matsunaga, Shigeki,Fukatsu, Arisa,Kondo, Mio,Masaoka, Shigeyuki,Kanai, Motomu. "Hybrid Catalysis Enabling Room-Temperature Hydrogen Gas Release from N-Heterocycles and Tetrahydronaphthalenes". supporting information. p. 2204 - 2207. Retrieved 2017/02/23.