1,2,3-Tribromopropane

Base Information

• Chemical Name: 1,2,3-Tribromopropane
• CAS No.: 96-11-7
• Molecular Formula: C3H5 Br3
• Molecular Weight: 280.785
• Hs Code.: 2903 39 19
• European Community (EC) Number: 202-478-8
• NSC Number: 78932
• UNII: D2R8L96TOV
• DSSTox Substance ID: DTXSID9059129
• Nikkaji Number: J3.960H
• Wikipedia: 1,2,3-Tribromopropane
• Wikidata: Q4545647
• Metabolomics Workbench ID: 53658
• Mol file: 96-11-7.mol

Synonyms:1,2,3-TRIBROMOPROPANE;96-11-7;s-Tribromopropane;Glycerol tribromohydrin;Glyceryl tribromohydrin;sym-Tribromopropane;Propane, 1,2,3-tribromo-;NSC 78932;CCRIS 6706;EINECS 202-478-8;1,2,3-tribromo-propane;UNII-D2R8L96TOV;BRN 1732082;D2R8L96TOV;AI3-18135;NSC-78932;4-01-00-00221 (Beilstein Handbook Reference);C3H5Br3;1,3-Tribromopropane;1,2,3-tribrompropan;1.2.3-Tribromopropane;Propane,2,3-tribromo-;NCIOpen2_004459;SCHEMBL66165;DTXSID9059129;1,2,3-Tribromopropane, 97%;CHEBI:18859;TRIBROMOPROPANE, 1,2,3-;NSC78932;MFCD00017884;1,2,3-TRIBROMOPROPANE [MI];AKOS000120060;AS-58199;LS-121073;FT-0606223;T0355;EN300-19787;E78688;A845547;J-503779;J-802007;Q4545647;F0001-2288

Chemical Property of 1,2,3-Tribromopropane

Chemical Property:

• Appearance/Colour: Liquid.
• Vapor Pressure: 0.167mmHg at 25°C
• Melting Point: 16-17 ºC
• Refractive Index: n20/D 1.584(lit.)
• Boiling Point: 220 ºC
• Flash Point: 93 ºC
• PSA: 0.00000
• Density: 2.398
• LogP: 2.53970
• Storage Temp.: Store below +30°C.
• Solubility.: H2O: insoluble
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 279.79209
• Heavy Atom Count: 6
• Complexity: 25.2

Purity/Quality:

99% ^*data from raw suppliers

1,2,3-Tribromopropane >97.0%(GC) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-40-68
• Safety Statements: 26-27-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Aliphatics, Saturated
• Canonical SMILES: C(C(CBr)Br)Br

Technology Process of 1,2,3-Tribromopropane

There total 46 articles about 1,2,3-Tribromopropane 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%

allyl bromide (106-95-6) → 1,2,3-tribromopropane (96-11-7)

Guidance literature:

With bromine; In tetrachloromethane; at -5 - 20 ℃;

DOI:10.1002/chem.201501710

Reference yield: 80.0%

1,2,3-tris-trimethylsilanyloxy-propane (6787-10-6) → 1,2,3-tribromopropane (96-11-7)

Guidance literature:

With Tri-n-butylfluorphosphoniumbromid; In benzene; at 90 ℃; for 16h;

DOI:10.1055/s-1982-29802

Reference yield:

[Al(η1-C3H5)2(THF)2][BPh4] (1253216-02-2) + bromine (7726-95-6) → 1,5-Hexadien (592-42-7) + 1,2,3-tribromopropane (96-11-7)

Guidance literature:

In tetrahydrofuran-d8; at 20 ℃; for 1h;

DOI:10.1021/om100809h

upstream raw materials:

propene

allyl iodid

1,2-Dibromopropane

1-bromo-1-propene

Downstream raw materials:

propargyl alcohol methyl ether

5-(2-bromoallyl)-5-isopropylbarbituric acid

1,2-Bis(4-methylphenylsulfonyl)propane

1,2,3-tris-(toluene-4-sulfonyl)-propane

Refernces

• 1、 Nokhbeh, Seyed Reza,Gholizadeh, Mostafa,Salimi, Alireza,Sparkes, Hazel A.. "Crystal structure, characterization, Hirshfeld surface analysis and DFT studies of two [propane 3-bromo-1-(triphenyl phosphonium)] cations containing bromide (I) and tribromide (II) anions: The anion (II) as a new brominating agent for unsaturated compounds". . p. 542 - 554. Retrieved 2019/06/18.
• 2、 Udayakumar,Pandurangan. "A novel route for the synthesis of alkanes from glycerol in a two step process using a Pd/SBA-15 catalyst". . p. 78719 - 78727. Retrieved 2015/10/05.