2,4,6-Tribromo-3-methylphenol

Base Information

• Chemical Name: 2,4,6-Tribromo-3-methylphenol
• CAS No.: 4619-74-3
• Molecular Formula: C7H5 Br3 O
• Molecular Weight: 344.828
• Hs Code.: 2908199090
• European Community (EC) Number: 225-032-4
• NSC Number: 74686
• UNII: Q3Z845166M
• DSSTox Substance ID: DTXSID40196754
• Nikkaji Number: J55.425A
• Wikipedia: Tribromometacresol
• Wikidata: Q7840447
• Metabolomics Workbench ID: 154314
• ChEMBL ID: CHEMBL3707340
• Mol file: 4619-74-3.mol

Synonyms:2,4,6-Tribromo-3-methylphenol;4619-74-3;Micatex;Triphysan;2,4,6-Tribromo-m-cresol;Triphysol;tribromometacresol;3-Methyl-2,4,6-Tribromophenol;m-CRESOL, 2,4,6-TRIBROMO-;Phenol, 2,4,6-tribromo-3-methyl-;EINECS 225-032-4;NSC 74686;BRN 1949974;UNII-Q3Z845166M;NSC-74686;Q3Z845166M;3-06-00-01324 (Beilstein Handbook Reference);2,6-Tribromo-m-cresol;m-Cresol,4,6-tribromo-;2,6-Tribromo-3-methylphenol;SCHEMBL467297;WLN: QR BE DE FE C1;CHEMBL3707340;Phenol,4,6-tribromo-3-methyl-;DTXSID40196754;CHEBI:135457;2,4,6-tribromo-3-hydroxytoluene;2,4,6-Tribromo-m-cresol(oh=1);NSC74686;MFCD00019976;AKOS015890412;DB13513;HY-W319335;(ANILINOCARBONYL)AMINO]ACETICACID;2,4,6-TRIBROMO-M-CRESOL [MI];AC-23681;LS-55446;2,4,6-TRIBROMO-M-CRESOL [WHO-DD];CS-0358959;FT-0609839;F20934;A827005;Q7840447

Chemical Property of 2,4,6-Tribromo-3-methylphenol

Chemical Property:

• Appearance/Colour: white solid
• Vapor Pressure: 0.00213mmHg at 25°C
• Melting Point: 81.5-85.5 °C(lit.)
• Refractive Index: 1.654
• Boiling Point: 281.1 °C at 760 mmHg
• PKA: 6.46±0.28(Predicted)
• Flash Point: 123.8 °C
• PSA: 20.23000
• Density: 2.258 g/cm³
• LogP: 3.98810
• Storage Temp.: 2-8°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 343.78700
• Heavy Atom Count: 11
• Complexity: 142

Purity/Quality:

99% min ^*data from raw suppliers

2,4,6-Tribromo-3-methylphenol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=C(C=C1Br)Br)O)Br

Technology Process of 2,4,6-Tribromo-3-methylphenol

There total 56 articles about 2,4,6-Tribromo-3-methylphenol 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: 99.0%

3-methyl-phenol (108-39-4) → 2,4,6-tribromo-m-cresol (4619-74-3)

Guidance literature:

With benzyltrimethylammonium tribromide; In methanol; dichloromethane;

DOI:10.1246/bcsj.62.3373

Reference yield: 27.0%

3-methyl-phenol (108-39-4) → 2,4-dibromo-5-methylphenol (13321-76-1) + 2,4,6-tribromo-m-cresol (4619-74-3) + 2,4-dibromo-3-methylphenol (13321-75-0)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); In chloroform; at 20 ℃; for 0.5h; Solvent; Temperature;

Reference yield:

2,4,4,6-tetrabromo-3-methyl-cyclohexa-2,5-dienone (34946-83-3) → 2,4,6-tribromo-m-cresol (4619-74-3) + bromine (7726-95-6)

Guidance literature:

Aufbewahren in geschlossenem Gefaess;

upstream raw materials:

pyridine

2,4,4,6-tetrabromo-3-methyl-cyclohexa-2,5-dienone

ethanol

2,4,6-tribromo-3-bromomethyl-phenol

Downstream raw materials:

2,3,4,6-tetrabromo-5-methyl-phenol

2,6-dibromo-3-methyl-4-nitro-phenol

2,4-dibromo-3-methyl-6-nitro-phenol

2,6-dibromo-3-methylbenzoquinone

Refernces

• 1、 Scala-Valero, Claudine,Doizi, Denis,Guillaumet, Gerald. "Synthesis of isomers of rhodamine 575 and rhodamine 6G as new laser dyes". . p. 4803 - 4806. Retrieved 2007/10/03.
• 2、 Gu, Lianquan,Liu, Cuihua,Xu, Jingxing,King, Tsoo E.. "Synthesis and inhibitory activity of bromoquinone derivatives". . p. 3199 - 3210. Retrieved 2007/10/02.