Tribromochloromethane

Base Information

• Chemical Name: Tribromochloromethane
• CAS No.: 594-15-0
• Molecular Formula: CBr3 Cl
• Molecular Weight: 287.176
• European Community (EC) Number: 209-827-3
• UNII: 277P08AUIZ
• DSSTox Substance ID: DTXSID0024347
• Nikkaji Number: J468E
• Wikidata: Q27254175
• Mol file: 594-15-0.mol

Synonyms:Tribromochloromethane;tribromo(chloro)methane;594-15-0;Methane, tribromochloro-;EINECS 209-827-3;UNII-277P08AUIZ;AI3-18878;277P08AUIZ;AI 3-18878;Chlortribrommethan;bromoform-chlorine;CBr3Cl;C-Br3-Cl;CHLOROTRIBROMOMETHANE;SCHEMBL337725;DTXSID0024347;J468E;LS-195261;FT-0755854;Q27254175

Chemical Property of Tribromochloromethane

Chemical Property:

• Vapor Pressure: 3.79mmHg at 25°C
• Melting Point: 55°C
• Refractive Index: 1.5100 (estimate)
• Boiling Point: 156.1°Cat760mmHg
• Flash Point: 52.8°C
• PSA: 0.00000
• Density: 2.99g/cm³
• LogP: 3.02120
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 285.72182
• Heavy Atom Count: 5
• Complexity: 28.4

Purity/Quality:

99% ^*data from raw suppliers

Tribromochloromethane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(Cl)(Br)(Br)Br
• Uses: Tribromochloromethane is a potentially toxic disinfection byproducts generated at water treatment plants in USA.

Technology Process of Tribromochloromethane

There total 27 articles about Tribromochloromethane 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: 59.0%

Bromoform (75-25-2) → chlorotribromomethane (594-15-0)

Guidance literature:

With sodium hypochlorite; In water; for 72h; Ambient temperature;

Reference yield: 12.0%

tetrachloromethane (56-23-5) → Bromotrichloromethane (75-62-7) + dibromodichloromethane (594-18-3) + chlorotribromomethane (594-15-0)

Guidance literature:

With aluminum tri-bromide; for 8h; Heating;

DOI:10.1039/P29800001714

Reference yield:

sodium hypobromide → Bromotrichloromethane (75-62-7) + chlorotribromomethane (594-15-0) + carbon tetrabromide (558-13-4)

Guidance literature:

With chloroform; In not given; in alk. soln.;

upstream raw materials:

tetrachloromethane

chloroform

dibromochloronitrosomethane

Bromoform

Downstream raw materials:

(1,1-dibromo-3,3,3-trifluoroprop-1-en-2-yl)benzene

tetrachloromethane

Bromotrichloromethane

dibromodichloromethane

Refernces

• 1、 Sasson, Y.,Kitson, F.,Webster, O, W.. "Fluoride anion catalyzed halogen dance in polyhalomethanes". . p. 599 - 600. Retrieved 2007/10/02.
• 2、 Tanaka, Ryuichi,Zheng, Shi-Qin,Kawaguchi, Kenji,Tanaka, Takehide. "Nucleophilic attack on halogeno(phenyl)acetylenes by halide ions". . p. 1714 - 1720. Retrieved 2007/10/02.