1,2,3-Tribromobutane

Base Information

• Chemical Name: 1,2,3-Tribromobutane
• CAS No.: 632-05-3
• Deprecated CAS: 1997309-90-6
• Molecular Formula: C4H7 Br3
• Molecular Weight: 294.812
• European Community (EC) Number: 211-168-1
• DSSTox Substance ID: DTXSID10870736
• Nikkaji Number: J134.578H
• Mol file: 632-05-3.mol

Synonyms:1,2,3-Tribromobutane;632-05-3;Butane, 1,2,3-tribromo-;AI3-18879;EINECS 211-168-1;1,2,3-Tribrom-butan;SCHEMBL7853469;DTXSID10870736;FT-0632684

Chemical Property of 1,2,3-Tribromobutane

Chemical Property:

• Vapor Pressure: 0.171mmHg at 25°C
• Melting Point: -19°C
• Refractive Index: 1.5660
• Boiling Point: 220°C at 760 mmHg
• Flash Point: 91.3°C
• PSA: 0.00000
• Density: 2.186g/cm³
• LogP: 2.92820
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 293.80774
• Heavy Atom Count: 7
• Complexity: 46.2

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(CBr)Br)Br

Technology Process of 1,2,3-Tribromobutane

There total 19 articles about 1,2,3-Tribromobutane 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: 23.8%

s-butyl bromide (78-76-2,5787-31-5) → 2,3-dibromobutane (5408-86-6) + (E)-1,4-dibromobutene (821-06-7) + 2,2-dibromobutane (50341-35-0) + 1,2,3-tribromobutane (632-05-3)

Guidance literature:

With hydrogen bromide; bromine; at 100 ℃; for 0.25h; under 80 Torr; Further byproducts given; Heating; Irradiation;

Reference yield:

1,4-dibromo-butane (110-52-1) + bromine (7726-95-6) → 1,2,3-tribromobutane (632-05-3) + 1,2,3,4-tetrabromobutane (1529-68-6)

Guidance literature:

Reference yield:

(E)-1-Bromo-2-butene (4784-77-4,39616-19-8,29576-14-5) → 1,2,3-tribromobutane (632-05-3)

Guidance literature:

With bromine; In tetrachloromethane;

DOI:10.1021/ja00436a035

upstream raw materials:

1,4-dibromo-butane

1-butylene

(E/Z)-crotyl bromide

phosphoric acid tris-(1-methyl-allyl ester)

Downstream raw materials:

2,3-dibromo-but-1-ene

1,2-dibromo-2-butene

Refernces

• 1、 Tanner, Dennis D.,Ruo, Tomoki C. S.,Kosugi, Yoshio,Potter, Alan. "A reinvestigation of the vapor phase bromination of 2-bromobutane". . p. 2310 - 2316. Retrieved 2007/10/02.