Bromotrichloromethane

Base Information

• Chemical Name: Bromotrichloromethane
• CAS No.: 75-62-7
• Molecular Formula: CBrCl3
• Molecular Weight: 198.274
• Hs Code.: 29034700
• European Community (EC) Number: 200-886-0
• NSC Number: 8017
• UNII: IKJ30QXM63
• DSSTox Substance ID: DTXSID7023930
• Nikkaji Number: J48.655H
• Wikidata: Q23780617
• ChEMBL ID: CHEMBL160802
• Mol file: 75-62-7.mol

Synonyms:Bromotrichloromethane;Trichlorobromomethane

Chemical Property of Bromotrichloromethane

Chemical Property:

• Appearance/Colour: Clear colourless to slightly yellow liquid
• Vapor Pressure: 37.2mmHg at 25°C
• Melting Point: ?6 °C(lit.)
• Refractive Index: n20/D 1.5065(lit.)
• Boiling Point: 103.5 °C at 760 mmHg
• Flash Point: 18.6 °C
• PSA: 0.00000
• Density: 2.145 g/cm³
• LogP: 2.70900
• Water Solubility.: insoluble
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 195.82490
• Heavy Atom Count: 5
• Complexity: 28.4

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:; R36/37/38:
• Safety Statements: S26:; S36/37/39:

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Bromotrichloromethane

There total 38 articles about Bromotrichloromethane 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%

chloroform (67-66-3,8013-54-5) → Bromotrichloromethane (75-62-7)

Guidance literature:

With bromine; at 59 ℃; Temperature; Wavelength; Reagent/catalyst; Irradiation; Inert atmosphere;

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:

trichloro-acetyl bromide (34069-94-8) → Bromotrichloromethane (75-62-7) + hexachloroethane (67-72-1)

Guidance literature:

at 400 ℃; in Glasrohr;

upstream raw materials:

tetrachloromethane

N-Bromosuccinimide

chloroform

carbon tetrabromide

Downstream raw materials:

(1-bromo-3,3,3-trichloropropyl)benzene

3-bromo-1,1,1-trichloro-4-phenylbutane

1-(1-bromo-3,3,3-trichloro-propyl)-4-chloro-benzene

3-bromo-2-methyl-1,1,1-trichlorobutane

Refernces

• 1、 Benson. "". . p. 2044. Retrieved 1965.
• 2、 -. "PROCESS FOR PREPARING BROMOTRICHLOROMETHANE". Page/Page column 5-6. . Retrieved 2018/10/19.
• 3、 Oum, Kawon,Luther, Klaus,Troe, Juergen. "High-Pressure Studies of Radical-Solvent Molecule Interactions in the CCl3 and Bromine Combination Reactions of CCl3". . p. 2690 - 2699. Retrieved 2007/10/03.