2,4,6-Trichlorobenzyl alcohol

Base Information

• Chemical Name: 2,4,6-Trichlorobenzyl alcohol
• CAS No.: 217479-60-2
• Molecular Formula: C7H5 Cl3 O
• Molecular Weight: 211.475
• Hs Code.: 2906299090
• European Community (EC) Number: 626-325-3
• DSSTox Substance ID: DTXSID10404510
• Nikkaji Number: J2.173.306G
• Wikidata: Q82208747
• Mol file: 217479-60-2.mol

Synonyms:2,4,6-Trichlorobenzyl alcohol;217479-60-2;(2,4,6-trichlorophenyl)methanol;2,4,6-trichlorobenzylalcohol;MFCD03093891;Benzenemethanol, 2,4,6-trichloro-;ghl.PD_Mitscher_leg0.514;SCHEMBL320021;DTXSID10404510;(2,4,6-trichlorophenyl)-methanol;AMY42001;(2, 4, 6-trichlorophenyl)methanol;CL8689;AKOS015889007;2,4,6-Trichlorobenzyl alcohol, 97%;DS-1059;SY107273;2 4 6-TRICHLOROBENZYL ALCOHOL 97;CS-0157725;FT-0720508;EN300-1073540;A878935;J-507071;Z1269142425

Chemical Property of 2,4,6-Trichlorobenzyl alcohol

Chemical Property:

• Vapor Pressure: 0.000535mmHg at 25°C
• Melting Point: 98-101 °C(lit.)
• Refractive Index: 1.596
• Boiling Point: 299.4°C at 760 mmHg
• PKA: 13.18±0.10(Predicted)
• Flash Point: 134.9°C
• PSA: 20.23000
• Density: 1.52g/cm³
• LogP: 3.13910
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 209.940598
• Heavy Atom Count: 11
• Complexity: 119

Purity/Quality:

98%min ^*data from raw suppliers

2,4,6-Trichlorobenzyl alcohol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1Cl)CO)Cl)Cl
• Uses: 2,4,6-Trichlorobenzyl Alcohol is an intermediate in the synthesis of 1,3,5-Trichloro-2-methylbenzene (T774363). 1,3,5-Trichloro-2-methylbenzene can be used as reactant/reagent in hydrodechlorination process and catalysts for the production of 2,?6-?dichlorotoluene from polychlorotoluene-?containing mixtures. Also, it is derived from 2,4,6-Trichlorobenzoic Acid (T774715), which is a possible degradation intermediate of Polychlorinated Biphenyls (PCBs) in contaminated soil, suggesting the occurrence of microbial transformation processes over time.

Technology Process of 2,4,6-Trichlorobenzyl alcohol

There total 4 articles about 2,4,6-Trichlorobenzyl alcohol 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: 100.0%

2,4,6-trichlorobenzoic acid (50-43-1) → (2,4,6-trichlorophenyl)methanol (217479-60-2)

Guidance literature:

2,4,6-trichlorobenzoic acid; With borane-dimethyl sulfide complex; In tetrahydrofuran; at 22 ℃; Inert atmosphere; Cooling with ice; Reflux;

With methanol; In tetrahydrofuran;

Reference yield:

2,4,6-trichlorobenzyl acetate → (2,4,6-trichlorophenyl)methanol (217479-60-2)

Guidance literature:

With sodium hydroxide; In ethanol; water; for 1h;

Reference yield:

2,4,6-trichlorotoluene (23749-65-7) → (2,4,6-trichlorophenyl)methanol (217479-60-2)

Guidance literature:

Multi-step reaction with 3 steps

1: N-bromosuccinimide / CCl₄ / 2 h / Irradiation

2: acetonitrile / 12 h / 20 °C

3: NaOH / ethanol; H₂O / 1 h

With sodium hydroxide; N-Bromosuccinimide; In tetrachloromethane; ethanol; water; acetonitrile; 1: Bromination / 2: Substitution / 3: Hydrolysis;

upstream raw materials:

2,4,6-trichlorotoluene

2,4,6-trichlorobenzyl bromide

2,4,6-trichlorobenzoic acid

Downstream raw materials:

2,4,6-trichloro-1-((methanesulfonyloxy)methyl)benzene

C₂₃H₁₉Cl₃N₂O₆

Refernces

• 1、 -. "SUBSTITUTED 1,2,5-OXADIAZOLE COMPOUNDS AND THEIR USE AS HERBICIDES". Page/Page column 123-124. . Retrieved 2013/06/05.
• 2、 Banfi, Stefano,Cavazzini, Marco,Pozzi, Gianluca,Barkanova, Svetlana V.,Kaliya, Oleg L.. "Kinetic studies on the interactions of manganese-porphyrins with peracetic acid. Part 1. Epoxidation of alkenes and hydroxylation of aromatic rings". . p. 871 - 877. Retrieved 2007/10/03.