3,4-Dichlorobenzotrichloride

Base Information

• Chemical Name: 3,4-Dichlorobenzotrichloride
• CAS No.: 13014-24-9
• Molecular Formula: C7H3Cl5
• Molecular Weight: 264.366
• Hs Code.: 2903999090
• European Community (EC) Number: 235-869-7
• NSC Number: 163901
• UN Number: 1759
• UNII: 79ZZO7J7BA
• DSSTox Substance ID: DTXSID2025840
• Nikkaji Number: J140.752J
• Wikidata: Q27266800
• ChEMBL ID: CHEMBL1567313
• Mol file: 13014-24-9.mol

Synonyms:3,4-Dichlorobenzotrichloride;13014-24-9;1,2-Dichloro-4-(trichloromethyl)benzene;3,4-Dichlorophenyltrichloromethane;Benzene, 1,2-dichloro-4-(trichloromethyl)-;1,2-Dichloro-4-trichloromethylbenzene;3,4-Dichlorotrichloromethylbenzene;CCRIS 6088;3,4,alpha,alpha,alpha-Pentachlorotoluene;3,4-Dichloro-1-(trichloromethyl)benzene;alpha,alpha,alpha,3,4-Pentachlorotoluene;EINECS 235-869-7;A,A,A,3,4-PENTACHLOROTOLUENE;UNII-79ZZO7J7BA;NSC 163901;BRN 2444802;79ZZO7J7BA;Toluene, .alpha.,.alpha.,.alpha.,3,4-pentachloro-;AI3-02582;DTXSID2025840;Toluene, alpha,alpha,alpha,3,4-pentachloro-;NSC-163901;EC 235-869-7;.alpha.,.alpha.,.alpha.,3,4-Pentachlorotoluene;NSC163901;3,4-Dichloro benzotrichloride;3,4-dichlorobenzo-trichloride;Dichlorobenzotrichloride;98%;DTXCID305840;SCHEMBL1843312;CHEMBL1567313;ATYLRBXENHNROH-UHFFFAOYSA-;3,4-Dichlorobenzotrichloride, 96%;Tox21_200169;LS-730;MFCD00018820;C(Cl)(Cl)(Cl)c1ccc(Cl)c(Cl)c1;AKOS015889377;.alpha.,.alpha.,3,4-Pentachlorotoluene;3,4-alpha,alpha,alpha-Pentachlorotoluene;Benzene,2-dichloro-4-(trichloromethyl)-;NCGC00091768-01;NCGC00091768-02;NCGC00257723-01;AC-12256;BS-43858;CAS-13014-24-9;Toluene,.alpha.,.alpha.,3,4-pentachloro-;D2481;FT-0614234;I+/-,I+/-,I+/-,3,4-pentachlorotoluene;PENTACHLOROTOLUENE, ALPHA,ALPHA,ALPHA,3,4-;W-108353;Q27266800

Chemical Property of 3,4-Dichlorobenzotrichloride

Chemical Property:

• Appearance/Colour: Slightly opaque pale yellow liquid
• Vapor Pressure: 1.333hPa at 15-50℃
• Melting Point: 25.8oC
• Refractive Index: n20/D >1.5890(lit.)
• Boiling Point: 283.099 °C at 760 mmHg
• Flash Point: 123.486 °C
• PSA: 0.00000
• Density: 1.606 g/cm³
• LogP: 4.82010
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 263.864788
• Heavy Atom Count: 12
• Complexity: 152
• Transport DOT Label: Corrosive

Purity/Quality:

99.9% ^*data from raw suppliers

3,4-Dichlorobenzotrichloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(Cl)(Cl)Cl)Cl)Cl

Technology Process of 3,4-Dichlorobenzotrichloride

There total 8 articles about 3,4-Dichlorobenzotrichloride 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: 93.9%

3,4-Dichlorotoluene (95-75-0) → 3,4-dichloro-1-trichloromethylbenzene (13014-24-9)

Guidance literature:

With chlorine; dibenzoyl peroxide; at 90 ℃; Temperature; Green chemistry;

Reference yield: 9.8%

4-chlorotrichloromethylbenzene (5216-25-1) → 3,4,5-trichlorotrichlorotoluene (66682-07-3) + 2,3,4,5-tetrachloro-1-(trichloromethyl)benzene (2136-87-0) + 3,4-dichloro-1-trichloromethylbenzene (13014-24-9) + 2,4,5-trichloro-1-(trichloromethyl)benzene (27020-90-2)

Guidance literature:

With chlorine; iron(III) chloride; at 55 ℃; for 13.3333 - 26.6667h; Product distribution / selectivity;

Reference yield:

1,2-dichloro-benzene (95-50-1) → bis-(3,4-dichlorophenyl)dichloromethane (854750-10-0) + 3,4-dichloro-1-trichloromethylbenzene (13014-24-9)

Guidance literature:

With tetrachloromethane; C₆H₁₁N₂⁽¹⁺⁾*Cl^(1-)*AlCl₃; at 60 ℃; for 2h; under 760.051 Torr;

DOI:10.1007/s10562-018-2633-8

upstream raw materials:

4-bromo-m-xylene

4-chloro-1,3-bis-(trichloromethyl)-benzene

2-chloro-1,4-bis-(trichloromethyl)-benzene

4-chlorotrichloromethylbenzene

Downstream raw materials:

1,2-dichloro-4-(trifluoromethyl)benzene

hydrogenchloride

2,4,5-trichloro-1-(trifluoromethyl)benzene

1-trifluoromethyl-3,4,5-trichlorobenzene

Refernces

• 1、 -. "Novel 3, 4, 5- preparation method of methyltrifluorobenzotrifluoride (by machine translation)". Paragraph 0008-0009; 0018; 0020; 0024; 0028; 0032. . Retrieved 2020/01/14.
• 2、 -. "Method for preparing 3,4-dichlorobenzonitrile". Paragraph 0006; 0017-0019. . Retrieved 2019/10/22.