1,2,3,4-Tetrachloronaphthalene

Base Information

• Chemical Name: 1,2,3,4-Tetrachloronaphthalene
• CAS No.: 20020-02-4
• Molecular Formula: C10H4 Cl4
• Molecular Weight: 265.954
• Hs Code.: 2903999090
• European Community (EC) Number: 215-642-9,622-398-0
• ICSC Number: 1387
• NSC Number: 524443
• UNII: 365DE4737Q
• DSSTox Substance ID: DTXSID5026095
• Nikkaji Number: J94.938H
• Wikidata: Q27256527
• Mol file: 20020-02-4.mol

Synonyms:1,2,3,4-TETRACHLORONAPHTHALENE;20020-02-4;Naphthalene, 1,2,3,4-tetrachloro-;C10H4Cl4;CCRIS 5937;HSDB 4283;Napthalene, 1,2,3,4-tetrachloro-;NSC 524443;TETRACHLORONAPHTHALENE;AI3-26504;1335-88-2;UNII-365DE4737Q;365DE4737Q;NSC-524443;1,2,3,4-Tetrachloronaphthalene 10 microg/mL in Isooctane;1,2,3,4-Tetrachloronaphthalene 100 microg/mL in Nonane;1,2,3,4-Tetrachloronaphthalene 100 microg/mL in Cyclohexane;Tetraklornaftalen;Tetracloronaftaleno;Tetrachloronaphthalene.;Naftaleno, tetracloro-;Naphthalene, tetrachloro-;Disodiumsuccinatehexahydrate;SCHEMBL526943;DTXSID5026095;HSDB 2919;Clc1c(Cl)c(Cl)c(Cl)c2ccccc12;EINECS 215-642-9;LS-981;NSC524443;AKOS015849892;AI3-09329;NAPHTHALENE,1,2,3,4-TETRACHLORO-;TETRACHLORONAPHTHALENE, 1,2,3,4-;1,2,3,4-TETRACHLORONAPHTHALENE [HSDB];J-012949;Q27256527

Chemical Property of 1,2,3,4-Tetrachloronaphthalene

Chemical Property:

• Appearance/Colour: light brown crystalline solid
• Melting Point: 182 ºC
• Boiling Point: 362.3 °C at 760 mmHg
• Flash Point: 181.7 °C
• PSA: 0.00000
• Density: 1.552 g/cm³
• LogP: 5.45340
• Storage Temp.: 2-8°C
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 265.903761
• Heavy Atom Count: 14
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

1,2,3,4-Tetrachloronaphthalene 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi,N,Xn,F
• Hazard Codes: Xi,N,Xn,F
• Statements: 11-38-50/53-65-67-20
• Safety Statements: 60-61-62-33-25-16-9

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(=C(C(=C2Cl)Cl)Cl)Cl
• Inhalation Risk: A harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C; on spraying or dispersing, however, much faster.
• Effects of Short Term Exposure: The substance is mildly irritating to the eyes and skin.
• Effects of Long Term Exposure: The substance may have effects on the liver. This may result in liver impairment.
• Uses: 1,2,3,4-Tetrachloronaphthalene is a standard for environmental testing and research. Substance for the studies on the pollutant concentration in the placenta: Unborn children are exposed to environmental pollutants via placenta, and there is causal relationship between maternal intake of pollutants and fetal exposure

Technology Process of 1,2,3,4-Tetrachloronaphthalene

There total 30 articles about 1,2,3,4-Tetrachloronaphthalene 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: 96.0%

tetrachlorobenzobarrelene → 1,2,3,4-tetrachloronaphthalene (20020-02-4)

Guidance literature:

With 1,2,4,5-tetrazine-3,6-dicarboxylic acid dimethyl ester; In toluene; at 110 ℃; for 0.333333h; Sealed tube; Inert atmosphere;

DOI:10.1016/j.tet.2017.07.058

Reference yield: 88.0%

5,6,7,8-tetrachloro-1,4-dihydro-9-hydroxy-9-phenyl-1,4-ethanonaphthalene → 1,2,3,4-tetrachloronaphthalene (20020-02-4) + acetophenone (98-86-2)

Guidance literature:

In N,N-dimethyl-formamide; for 0.5h; Heating;

DOI:10.1016/0040-4020(95)00394-N

Reference yield: 88.0%

5,6,7,8-tetrachloro-1,4-dihydro-9-endo-hydroxy-9-phenyl-1,4-ethanonaphthalene → 1,2,3,4-tetrachloronaphthalene (20020-02-4) + acetophenone (98-86-2)

Guidance literature:

In N,N-dimethyl-formamide; for 0.5h; Heating;

DOI:10.1016/0040-4020(95)00395-O

upstream raw materials:

sodium ethanolate

1,2,3,4-Tetrachlor-5H-benzocyclohepten

2,3-Dichlor-4-(dichlormethylen)-1(4H)naphthalinon

1,2,3-Trichlor-4-(trichlormethyl)naphthalin

Downstream raw materials:

2-chloronaphthalene

1,4-dichloronaphthalene

2,4-dichloronaphthalene

1,3,4-Trichloronaphthalene