3-Chlorobenzotrichloride

Base Information

• Chemical Name: 3-Chlorobenzotrichloride
• CAS No.: 2136-81-4
• Molecular Formula: C7H4Cl4
• Molecular Weight: 229.921
• Hs Code.: 2903999090
• European Community (EC) Number: 218-376-1
• NSC Number: 59737
• DSSTox Substance ID: DTXSID6062200
• Nikkaji Number: J140.751A
• Wikidata: Q81989900
• Mol file: 2136-81-4.mol

Synonyms:3-Chlorobenzotrichloride;2136-81-4;3-Chloro benzotrichloride;1-Chloro-3-(trichloromethyl)benzene;Benzene, 1-chloro-3-(trichloromethyl)-;1-chloro-3-trichloromethyl-benzene;m-Chlorobenzotrichloride;NSC59737;SCHEMBL196785;DTXSID6062200;EINECS 218-376-1;MFCD00018819;NSC 59737;NSC-59737;AKOS015890375;alpha,alpha,alpha,3-Tetrachlorotoluene;AS-82618;AI3-02821;CS-0145124;FT-0657123;EN300-18668;E81815;W-107561;m,?,?,?-Tetrachlorotoluene;m-Chloro(trichloromethyl)benzene

Chemical Property of 3-Chlorobenzotrichloride

Chemical Property:

• Vapor Pressure: 0.0268mmHg at 25°C
• Melting Point: 0.6°C
• Refractive Index: 1.571
• Boiling Point: 255 °C at 760 mmHg
• Flash Point: 101.9 °C
• PSA: 0.00000
• Density: 1.505g/cm³
• LogP: 4.16670
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 229.903761
• Heavy Atom Count: 11
• Complexity: 129

Purity/Quality:

98%min ^*data from raw suppliers

3-Chlorobenzotrichloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)C(Cl)(Cl)Cl
• Uses: 3-Chlorobenzotrichloride may be used as mosquito larvicide.

Technology Process of 3-Chlorobenzotrichloride

There total 7 articles about 3-Chlorobenzotrichloride 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: 81.0%

1-dichloromethyl-3-chlorobenzene (15145-69-4) → 3-chlorobenzotrichloride (2136-81-4)

Guidance literature:

Reference yield:

antimonypentachloride (7647-18-9) + Benzotrichlorid (98-07-7) → 4-chlorotrichloromethylbenzene (5216-25-1) + 3-chlorobenzotrichloride (2136-81-4) + 2-chlorobenzotrichloride (2136-89-2)

Guidance literature:

at 0 - 50 ℃; Einleiten von Chlor;

Reference yield:

iodine (7553-56-2,12190-71-5,8031-47-8) + Benzotrichlorid (98-07-7) → 4-chlorotrichloromethylbenzene (5216-25-1) + 3-chlorobenzotrichloride (2136-81-4) + 2,3,4-trichloro-1-(trichloromethyl)benzene (20020-72-8)

Guidance literature:

at 25 - 30 ℃; Einleiten von Chlor;

upstream raw materials:

1-chloro-3-methylbenzene

3-sulfosalicylic acid

benzoyl chloride

3-Carboxyphenol

Downstream raw materials:

1,2-bis(3-chlorophenyl)ethyne

methylene chloride

methyl 3-chlorobenzoate

m-Chlorobenzoyl chloride

Refernces