Methyl chloride

Base Information

• Chemical Name: Methyl chloride
• CAS No.: 74-87-3
• Deprecated CAS: 1173018-35-3,1474045-09-4,1474045-10-7,1474045-11-8,16786-44-0,1596379-05-3
• Molecular Formula: CH3Cl
• Molecular Weight: 50.4878
• Hs Code.: 2903110000
• European Community (EC) Number: 200-817-4
• ICSC Number: 0419
• UN Number: 1063
• UNII: A6R43525YO
• DSSTox Substance ID: DTXSID0021541
• Nikkaji Number: J1.245.456B,J298.854B,J1.430C
• Wikipedia: Chloromethane
• Wikidata: Q422709
• NCI Thesaurus Code: C77476
• Metabolomics Workbench ID: 52136
• ChEMBL ID: CHEMBL117545
• Mol file: 74-87-3.mol

Synonyms:chloromethane;

Chemical Property of Methyl chloride

Chemical Property:

• Appearance/Colour: colourless gas with a minorly sweet odor
• Vapor Pressure: 4070mmHg at 25°C
• Melting Point: -97 °C
• Refractive Index: 1.0007
• Boiling Point: -24.2oC
• Flash Point: -46oC
• PSA: 0.00000
• Density: 0.895 g/cm³
• LogP: 0.85500
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 49.9923278
• Heavy Atom Count: 2
• Complexity: 2
• Transport DOT Label: Flammable Gas

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F+,Xn,T,F
• Hazard Codes: F+,Xn,T,F

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Solvents -> Chlorinated Aliphatics
• Canonical SMILES: CCl
• 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 liquid may cause frostbite. The substance may cause effects on the central nervous system. Exposure far above the OEL could cause liver, cardiovascular system and kidney damage. Exposure could cause unconsciousness. Medical observation is indicated. The effects may be delayed.
• Effects of Long Term Exposure: The substance may have effects on the central nervous system. This may result in effects measured using behavioural tests. Animal tests show that this substance possibly causes toxic effects upon human reproduction.

Technology Process of Methyl chloride

There total 800 articles about Methyl chloride 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: 79.7%

benzylidene dichloride (98-87-3) + Methyl Diisopropylphosphinate (18632-46-7) → methylene chloride (74-87-3) + diisopropylphosphoryl chloride (1112-15-8) + benzaldehyde (100-52-7) + diisopropylphosphinic anhydride (67949-89-7)

Guidance literature:

at 180 ℃; for 17h; Product distribution; Mechanism; other gem-dihalide: benzal bromide, other methyl esters of tetracoordinated phosphorus acids, various reactants ratio, other reaction temperature and time;

Reference yield:

1,2-Dichloropropane (26198-63-0,78-87-5) + diacetyl peroxide (110-22-5) → methylene chloride (74-87-3) + 1,2,2-trichloropropane (3175-23-3) + methane (34557-54-5,27936-85-2) + propenyl chloride (590-21-6)

Guidance literature:

at 80 ℃; weitere Produkte: 1-Chlor-2-methyl-propan, meso-1,2,3,4-Tetrachlor-2,3-dimethyl-butan und racem.-1,2,3,4-Tetrachlor-2,3-dimethyl-butan;

DOI:10.1021/ja01146a041

Reference yield:

sodium ethanolate (141-52-6) + Chloromethyltrimethylsilane (2344-80-1) → methylene chloride (74-87-3) + ethyl trimethylsilyl ether (1825-62-3) + (trimethylsilyl)methyl ethyl ether (17348-58-2)

Guidance literature:

upstream raw materials:

benzoic acid methyl ester

methanol

tetrachloromethane

phosgene

Downstream raw materials:

mepiquat chloride

N-methylpyridinium chloride

2-Ethylpyridine

1,2-dimethylpyridinium chloride

Refernces

Fused tetrazoles as azide surrogates in click reaction: Efficient synthesis of N-heterocycle-substituted 1,2,3-triazoles

10.1021/ol100745d

The research investigates the use of various pyrido-, quinolino-, pyrazino-, and quinoxalinotetrazoles as azide surrogates in Cu-catalyzed click reactions with alkynes to efficiently synthesize N-heterocyclic derivatives of 1,2,3-triazoles. The study aims to develop an efficient method for synthesizing these biologically important 1,2,3-triazoles, which have a wide range of applications, including controlling arthropod pests, treating substance-related disorders, and exhibiting antibacterial and antimicrobacterial activity. The researchers optimized the reaction conditions, finding that using (CuOTf)2·C6H6 as the catalyst in toluene or THF at room temperature or elevated temperatures yielded good to excellent results. They tested the generality of these conditions with different tetrazoles and alkynes, achieving high yields of the desired triazoles. However, they found that pyridotetrazoles could not be used as azide precursors in Ru-catalyzed synthesis of 1,5-disubstituted triazoles, likely due to deactivation of the Ru-catalyst by chelation with the nitrogen atom of the pyridine ring.