Bromomethane

Base Information

• Chemical Name: Bromomethane
• CAS No.: 74-83-9
• Deprecated CAS: 1361252-19-8,1519044-64-4
• Molecular Formula: CH3Br
• Molecular Weight: 94.9388
• Hs Code.: 2903399020
• European Community (EC) Number: 200-813-2
• ICSC Number: 0109
• UN Number: 1062
• UNII: 9V42E1Z7B6
• DSSTox Substance ID: DTXSID8020832
• Nikkaji Number: J1.245.460K,J2.381G,J895.767C
• Wikipedia: Bromomethane
• Wikidata: Q421758,Q83037350
• NCI Thesaurus Code: C163675
• Metabolomics Workbench ID: 44926
• ChEMBL ID: CHEMBL48339
• Mol file: 74-83-9.mol

Synonyms:bromomethane;methyl bromide;methyl bromide, 14C-labeled;methylbromide;Terabol

Chemical Property of Bromomethane

Chemical Property:

• Appearance/Colour: colourless gas with a chloroform-like odour
• Melting Point: -94 °C(lit.)
• Refractive Index: 1.4432
• Boiling Point: 3.8 °C at 760 mmHg
• Flash Point: -34°C
• PSA: 0.00000
• Density: 1.63 g/cm³
• LogP: 1.01110
• Water Solubility.: 1.522 g/100 mL
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 93.94181
• Heavy Atom Count: 2
• Complexity: 2
• Transport DOT Label: Poison Gas

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): T, N, Xn, F,F+
• Hazard Codes: T:Toxic;;
• Statements: R23/25:; R36/37/38:; R48/20:; R50:; R59:; R68:
• Safety Statements: S15:; S27:; S36/39:; S38:; S45:; S59:; S61:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Fumigants
• Canonical SMILES: CBr
• Recent EU Clinical Trials: Unders?kning av en kv?veoxidsyntash?mmares effekt p? sm?rta hos patienter med kronisk neuropatisk sm?rta.
• Inhalation Risk: A harmful concentration of this gas in the air will be reached very quickly on loss of containment.
• Effects of Short Term Exposure: The substance, as a liquid, is severely irritating to the skin. The substance, as a liquid, is irritating to the eyes and respiratory tract. Inhalation may cause lung oedema. Rapid evaporation of the liquid may cause frostbite. The substance may cause effects on the central nervous system and kidneys. The effects may be delayed up to 48 hours. Exposure at high levels could cause death. Medical observation is indicated.
• Effects of Long Term Exposure: The substance may have effects on the nervous system, kidneys and liver. This may result in impaired functions. Animal tests show that this substance possibly causes toxicity to human reproduction or development.

Technology Process of Bromomethane

There total 260 articles about Bromomethane 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: 43.0%

CpRe(CO)2(COCH3)(CH3) + Bromotrichloromethane (75-62-7) + carbon monoxide (201230-82-2) → methyl bromide (74-83-9) + CpRe(CO)2(CH3)Br + CpRe(CO)2(COCH3)Br + Acetyl bromide (506-96-7) + acetone (67-64-1)

Guidance literature:

In dichloromethane-d2; Irradiation (UV/VIS); 355-385 nm light;

DOI:10.1021/ja00186a021

Reference yield: 27.0%

allyl bromide (106-95-6) + C3H3N2O2(1-)*K(1+) → methyl bromide (74-83-9) + Diallylcyanamid (538-08-9)

Guidance literature:

In N,N-dimethyl-formamide; at 80 - 90 ℃; for 72h;

Reference yield: 8.0%

5-bromo-4-methoxy-3-phenylfuran-2(5H)-one (100074-67-7) + triphenylphosphine (603-35-0) → methyl bromide (74-83-9) + Methyltriphenylphosphonium bromide (1779-49-3) + 2,5-dihydro-2-oxo-3-phenyl-5-triphenylphosphoniumfuran-4-olate (100074-79-1)

Guidance literature:

In benzene; for 2h; Product distribution; Mechanism; Heating;

DOI:10.1039/P19850001567

upstream raw materials:

methanol

n-butyl magnesium bromide

dibutyl ether

methyl 2,4,6-trimethylbenzoate

Downstream raw materials:

3-methyl-3-phenylbut-1-ene

(E/Z)-2-phenylpent-2-ene

methylphosphonic acid dipropyl ester

1,3,4-trimethyl-1-phenyl-2,5-dihydro-pyrrolium; bromide

Refernces

• 1、 Keizer, Timothy S.,De Pue, Lauren J.,Parkin, Sean,Atwood, David A.. "Catalytic dealkylation of phosphates with binuclear boron compounds". . p. 1864 - 1865. Retrieved 2002.
• 2、 Krasnikova et al.. "". . . Retrieved 1972.
• 3、 Kistiakowsky,van Wazer. "". . p. 1829. Retrieved 1943.
• 4、 Ding, Kunlun,Metiu, Horia,Stucky, Galen D.. "The selective high-yield conversion of methane using iodine-catalyzed methane bromination". . p. 474 - 477. Retrieved 2013.
• 5、 Ferguson et al.. "". . . Retrieved 1973.
• 6、 Zyuzin,Lempert. "Kinetics of methoxy-NNO-Azoxymethane hydrolysis in strong acids". . p. 17 - 25. Retrieved 2011.
• 7、 Sherr. "". . p. 251,258. Retrieved 1938.
• 8、 Bonchev, Hristo,Mitchell, Sharon,Pérez-Ramírez, Javier,Saadun, Ali J.. "Carbon-Supported Bimetallic Ruthenium-Iridium Catalysts for Selective and Stable Hydrodebromination of Dibromomethane". . . Retrieved 2021/12/09.
• 9、 Gu, Shunyan,Chen, Junqi,Musgrave, Charles B.,Gehman, Zo? M.,Habgood, Laurel G.,Jia, Xiaofan,Dickie, Diane A.,Goddard, William A.,Gunnoe, T. Brent. "Functionalization of RhIII-Me Bonds: Use of capping Arene Ligands to Facilitate Me-X Reductive Elimination". . p. 1889 - 1906. Retrieved 2021/05/29.