3,4,5,6-Tetrabromo-o-cresol

Base Information

• Chemical Name: 3,4,5,6-Tetrabromo-o-cresol
• CAS No.: 576-55-6
• Deprecated CAS: 1321-02-4
• Molecular Formula: C7H4Br4O
• Molecular Weight: 423.724
• Hs Code.: 2908199090
• European Community (EC) Number: 209-403-8
• NSC Number: 4866
• UNII: 76L0Y0P4RG
• DSSTox Substance ID: DTXSID6040163
• Nikkaji Number: J71.653G
• Wikidata: Q2406703
• Mol file: 576-55-6.mol

Synonyms:tetrabromo-o-cresol

Chemical Property of 3,4,5,6-Tetrabromo-o-cresol

Chemical Property:

• Appearance/Colour: light yellow crystalline powder
• Vapor Pressure: 1.27E-05mmHg at 25°C
• Melting Point: 209-212 °C(lit.)
• Refractive Index: 1.678
• Boiling Point: 358 °C at 760 mmHg
• PKA: 6.31±0.33(Predicted)
• Flash Point: 170.3 °C
• PSA: 20.23000
• Density: 2.509 g/cm³
• LogP: 4.75060
• Storage Temp.: 2-8°C
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 423.69547
• Heavy Atom Count: 12
• Complexity: 166

Purity/Quality:

99% ^*data from raw suppliers

3,4,5,6-Tetrabromo-o-cresol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 36/37/38-48/20
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4,5,6-Tetrabromo-o-cresol

There total 21 articles about 3,4,5,6-Tetrabromo-o-cresol 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%

ortho-cresol (95-48-7,77504-84-8) → tetrabromo-o-cresol (576-55-6)

Guidance literature:

With bromine; iron; In tetrachloromethane; 1.) 5 h bromine introduction; 2.) 24 h room temp.;

DOI:10.1016/S0040-4020(01)90020-1

Reference yield:

→ tetrabromo-o-cresol (576-55-6)

Guidance literature:

With bromine;

Reference yield:

2-methylmethoxybenzene (578-58-5) → tetrabromo-o-cresol (576-55-6)

Guidance literature:

With aluminum tri-bromide; bromine;

upstream raw materials:

2-methylmethoxybenzene

carvacrol

2-ethoxytoluene

carvacrol methyl ether

Downstream raw materials:

2,4-dibromo-6-methylphenol

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

3,4,5-tribromo-2-methyl-6-nitro-phenol

2,3,5-tribromo-6-methyl-4-nitro-phenol

Refernces

• 1、 Lemaire, Marc,Guy, Alain,Roussel, Jacques,Guette, Jean-paul. "Nitrocyclohexadienones : a new class of nitrating agents". . p. 835 - 844. Retrieved 2007/10/02.