3,4,5,6-Tetrabromo-O-xylene

Base Information

• Chemical Name: 3,4,5,6-Tetrabromo-O-xylene
• CAS No.: 2810-69-7
• Molecular Formula: C8H6 Br4
• Molecular Weight: 421.752
• European Community (EC) Number: 252-851-4
• NSC Number: 12002
• DSSTox Substance ID: DTXSID701031116
• Nikkaji Number: J406.560C
• Wikipedia: Tetrabromo-o-xylene
• Wikidata: Q81983937
• Mol file: 2810-69-7.mol

Synonyms:3,4,5,6-TETRABROMO-O-XYLENE;2810-69-7;1,2,3,4-tetrabromo-5,6-dimethylbenzene;Tetrabromo-o-xylene;Xylene, tetrabromo derivative;36059-21-9;CCRIS 4868;EINECS 252-851-4;Benzene, dimethyl-, tetrabromo deriv.;Benzene, 1,2,3,4-tetrabromo-5,6-dimethyl-;tetrabromoxylene;tetrabrom-o-xylol;NSC12002;Tetrabromo-ortho-xylene;SCHEMBL655518;YSZC2186;DTXSID701031116;NSC 12002;NSC-12002;LS-1237;Benzene,2,3,4-tetrabromo-5,6-dimethyl-;FT-0747525;E83241

Chemical Property of 3,4,5,6-Tetrabromo-O-xylene

Chemical Property:

• Melting Point: 262°C
• Refractive Index: 1.7040 (estimate)
• Boiling Point: 374.5°Cat760mmHg
• Flash Point: 177.6°C
• PSA: 0.00000
• Density: 2.258g/cm³
• LogP: 5.35340
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 421.71620
• Heavy Atom Count: 12
• Complexity: 143

Purity/Quality:

98.5% ^*data from raw suppliers

3,4,5,6-TETRABROMO-O-XYLENE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4,5,6-Tetrabromo-O-xylene

There total 8 articles about 3,4,5,6-Tetrabromo-O-xylene 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: 97.0%

o-xylene (95-47-6) → 1,2,3,4-tetrabromo-5,6-dimethylbenzene (2810-69-7)

Guidance literature:

With bromine; iron; In dichloromethane; at 0 - 20 ℃; for 2h;

Reference yield: 82.0%

4-(1-Adamantyl)-1,2-dimethylbenzene (62133-11-3) → 1-Adamantyl bromide (768-90-1) + 1,3-dibromoadamantane (876-53-9) + 1,2,3,4-tetrabromo-5,6-dimethylbenzene (2810-69-7)

Guidance literature:

With bromine; iron; for 3.5h; Product distribution; Ambient temperature;

Reference yield:

o-xylene (95-47-6) + bromine (7726-95-6) + iodine (7553-56-2,12190-71-5,8031-47-8) → 4-bromo-o-xylene (583-71-1) + dibromoxylene (24932-49-8) + 1,2-dibromo-4,5-dimethylbenzene (24932-48-7) + 1,2,3,4-tetrabromo-5,6-dimethylbenzene (2810-69-7)

Guidance literature:

upstream raw materials:

o-xylene

3,4-dimethylcumene

4-(1-Adamantyl)-1,2-dimethylbenzene

bromine

Downstream raw materials:

1,2-bis(bromomethyl)-3,4,5,6-tetrabromobenzene

C₄₁H₃₇NO₅

C₈H₄Br₄

5,6,7,8-tetra(4'-t-butylphenylthio)anthracene-1,4-dione

Refernces

• 1、 -. "SOLUBLE, PERSISTENT NONACENE DERIVATIVES". Page/Page column 6. . Retrieved 2011/06/23.
• 2、 Kreher, Richard P.,Herd, Karl Josef. "Studies on the Chemistry of Isoindoles and Isoindolenines, XXXI. 4,5,6,7-Tetrachloro-and 4,5,6,7-Tetrabromo-2H-isoindoles". . p. 1827 - 1832. Retrieved 2007/10/02.