Carbon tetrabromide

Base Information

• Chemical Name: Carbon tetrabromide
• CAS No.: 558-13-4
• Molecular Formula: CBr4
• Molecular Weight: 331.627
• Hs Code.: 2903.30
• European Community (EC) Number: 209-189-6
• ICSC Number: 0474
• NSC Number: 6179
• UN Number: 2516
• UNII: NLH657095L
• DSSTox Substance ID: DTXSID8060327
• Nikkaji Number: J2.667K
• Wikipedia: Carbon tetrabromide,Carbon_tetrabromide
• Wikidata: Q423556
• Metabolomics Workbench ID: 56821
• Mol file: 558-13-4.mol

Synonyms:carbon tetrabromide;tetrabromomethane

Chemical Property of Carbon tetrabromide

Chemical Property:

• Appearance/Colour: colorless crystalline solid
• Vapor Pressure: 40 mm Hg ( 96 °C)
• Melting Point: 88-90 °C(lit.)
• Refractive Index: 1.694
• Boiling Point: 181.235 °C at 760 mmHg
• Flash Point: 65.413 °C
• PSA: 0.00000
• Density: 3.39 g/cm³
• LogP: 3.17730
• Storage Temp.: Store below +30°C.
• Water Solubility.: insoluble
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 331.66925
• Heavy Atom Count: 5
• Complexity: 19.1
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

Carbon tetrabromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+,Xi,N
• Hazard Codes: Xi,T+,N,Xn
• Statements: 37/38-41-36-26-52/53-22
• Safety Statements: 26-36-45-27-24-61

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Brominated Solvents
• Canonical SMILES: C(Br)(Br)(Br)Br
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: Lachrymation. The substance is corrosive to the eyes. The substance is irritating to the skin and respiratory tract. The substance may cause effects on the lungs, liver and kidneys. Exposure to high concentrations could cause unconsciousness.
• Effects of Long Term Exposure: The substance may have effects on the liver.
• Description: Carbon tetrabromide is considered a highly toxic chemical, may be fatal if inhaled, swallowed, or absorbed through skin. It is metabolized in vitro to produce carbon monoxide but the in vivo significance has not been established. Under anaerobic reducing conditions it forms complexes with ferrous cytochrome P450. Carbon monoxide is detected as a metabolic product of the interaction. Carbon tetrabromide’s production and use in organic syntheses may result in its release to the environment through various waste streams. Carbon tetrabromide has been isolated from red algae, Asparagopsis toxiformis, found in the ocean near Hawaii. It was detected in water from treated chlorinated seawater used for drinking at oil platforms. Occupational exposure to carbon tetrabromide may occur through inhalation and dermal contact with this compound at workplaces where it is produced or used. The general population may be exposed to carbon tetrabromide via ingestion of drinking water. Acute exposures to high concentrations may cause upper respiratory tract irritation and injury to lungs, liver (hepatotoxicity) and kidneys (nephrotoxicity). Chronic exposure effects at very low levels will be almost entirely limited to liver injury. It is a potent lachrymator even at low exposure concentrations. Although carbon tetrabromide may release bromine ions during metabolism, clinical bromism is not expected to occur.
• Uses: Carbon tetrabromide is used to a limited extent as a chemical intermediate. It has been isolated from red algae, Asparagopsis toxiformis, found in the ocean near Hawaii. Used to a limited extent as an intermediate in organic synthesis Organic synthesis.

Technology Process of Carbon tetrabromide

There total 100 articles about Carbon tetrabromide 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: 20.0%

Bromoform (75-25-2) → dibromoiodomethane (593-94-2) + carbon tetrabromide (558-13-4)

Guidance literature:

With potassium hydroxide; 18-crown-6 ether; sodium iodide; In dichloromethane; water; at 0 ℃; for 48h; Title compound not separated from byproducts;

DOI:10.1016/S0043-1354(00)00079-8

Reference yield:

Bromoform (75-25-2) → carbon tetrabromide (558-13-4) + hydrogen bromide (10035-10-6,12258-64-9)

Guidance literature:

at 218 ℃; Gleichgewicht der Reaktion;

DOI:10.1063/1.1723626

Reference yield:

tribromo-nitroso methane (68842-05-7) + water (7732-18-5) → bromocyane (506-68-3) + carbon tetrabromide (558-13-4)

Guidance literature:

upstream raw materials:

carbon disulfide

tetrachloromethane

ethanol

i-Amyl alcohol

Downstream raw materials:

1,1,1,3-tetrabromo-3-phenylpropane

carbonyl dibromide

hexabromoethane

1,1,1,2,2-pentabromoethane

Refernces

• 1、 Young,Hammett. "-". . p. 280,283. Retrieved 1950.
• 2、 Collie. "-". . p. 262. Retrieved 1894.
• 3、 Friedmann,Solomon,Werthessen. "". . p. 472. Retrieved 1939.
• 4、 Cancho, Beatriz,Ventura, Francesc,Galceran, Materesa,Diaz, Alfredo,Ricart, Susagna. "Determination, synthesis and survey of iodinated trihalomethanes in water treatment processes". . p. 3380 - 3390. Retrieved 2007/10/03.
• 5、 Sydnes, Leiv K.,Bakstad, Einar. "Formation of acetylenic acetals by ring opening of 1,1,2-trihalocyclopropanes under phase-transfer conditions". . p. 446 - 453. Retrieved 2007/10/03.