2,4,5-Trichlorotoluene

Base Information

• Chemical Name: 2,4,5-Trichlorotoluene
• CAS No.: 6639-30-1
• Molecular Formula: C7H5 Cl3
• Molecular Weight: 195.476
• European Community (EC) Number: 229-644-2
• NSC Number: 16047
• UNII: CN6GE686J2
• DSSTox Substance ID: DTXSID8064434
• Nikkaji Number: J91.322G
• Wikidata: Q27275550
• ChEMBL ID: CHEMBL295278
• Mol file: 6639-30-1.mol

Synonyms:2,4,5-TRICHLOROTOLUENE;6639-30-1;1,2,4-Trichloro-5-methylbenzene;Benzene, 1,2,4-trichloro-5-methyl-;Toluene, 2,4,5-trichloro-;UNII-CN6GE686J2;CN6GE686J2;EINECS 229-644-2;NSC 16047;NSC-16047;NSC16047;2,5-Trichlorotoluene;Toluene,4,5-trichloro-;SCHEMBL168826;CHEMBL295278;DTXSID8064434;Benzene,2,4-trichloro-5-methyl-;1,2,4-Trichloro-5-methylbenzene #;AKOS006242944;Benzene, 1-methyl-2,4,5-trichloro-;BS-29277;FT-0636218;2,4,5-Trichlorotoluene 10 microg/mL in Hexane;Q27275550

Chemical Property of 2,4,5-Trichlorotoluene

Chemical Property:

• Vapor Pressure: 0.0648mmHg at 25°C
• Melting Point: 82.4°C
• Refractive Index: 1.5670 (estimate)
• Boiling Point: 238.6°C at 760 mmHg
• Flash Point: 149.5°C
• PSA: 0.00000
• Density: 1.38g/cm³
• LogP: 3.95520
• Storage Temp.: 2-8°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 193.945683
• Heavy Atom Count: 10
• Complexity: 115

Purity/Quality:

99% ^*data from raw suppliers

2,4,5-Trichlorotoluene solution certified reference material, 2000 μg/mL in methanol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: T,F,Xi
• Statements: 23/24/25-39/23/24/25-11-41
• Safety Statements: 36/37-45-16-7-39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1Cl)Cl)Cl
• Uses: 2,?4,?5-?Trichlorotoluene is used to study distribution characteristics and ecological evaluation for understanding environmental conditions of the Maowei Sea in Guangxi province, China.

Technology Process of 2,4,5-Trichlorotoluene

There total 24 articles about 2,4,5-Trichlorotoluene 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:

toluene (108-88-3,15644-74-3,16713-13-6) → 2,4,5-trichlorotoluene (6639-30-1) + 2,3,4-trichlorotoluene (7359-72-0)

Guidance literature:

With molybdenum(V) chloride; beim Chlorieren;

Reference yield:

para-chlorotoluene (106-43-4) → 2,4,5-trichlorotoluene (6639-30-1) + 2,3,4-trichlorotoluene (7359-72-0)

Guidance literature:

With molybdenum(V) chloride; beim Chlorieren;

Reference yield:

2-methylchlorobenzene (95-49-8) → 2,4,5-trichlorotoluene (6639-30-1) + 2,3,4-trichlorotoluene (7359-72-0)

Guidance literature:

With molybdenum(V) chloride; beim Chlorieren;

upstream raw materials:

2,5-dichlorotoluene

4-methylisopropylbenzene

para-chlorotoluene

2-methylchlorobenzene

Downstream raw materials:

1,2,4,5-tetrachlorobenzene

2,4,5-trichlorobenzoic acid

pentachlorotoluene

1,2,4-trichloro-5-dichloromethyl-benzene

Refernces