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Allyl chloride

Base Information
  • Chemical Name:Allyl chloride
  • CAS No.:107-05-1
  • Molecular Formula:C3H5Cl
  • Molecular Weight:76.5257
  • Hs Code.:2903 29 00
  • European Community (EC) Number:203-457-6
  • ICSC Number:0010
  • NSC Number:20939
  • UN Number:1100
  • UNII:V2RFT0R50S
  • DSSTox Substance ID:DTXSID4039231
  • Nikkaji Number:J4.048G
  • Wikipedia:Allyl_chloride
  • Wikidata:Q420473
  • ChEMBL ID:CHEMBL451126
  • Mol file:107-05-1.mol
Allyl chloride

Synonyms:allyl chloride

Suppliers and Price of Allyl chloride
Supply Marketing:
Business phase:
The product has achieved commercial mass production*data from LookChem market partment
Manufacturers and distributors:
  • Manufacture/Brand
  • Chemicals and raw materials
  • Packaging
  • price
  • TRC
  • Allyl Chloride
  • 250ml
  • $ 215.00
  • TCI Chemical
  • Allyl Chloride >98.0%(GC)
  • 25mL
  • $ 19.00
  • TCI Chemical
  • Allyl Chloride >98.0%(GC)
  • 500mL
  • $ 27.00
  • SynQuest Laboratories
  • Allyl chloride 99%
  • 500 g
  • $ 30.00
  • SynQuest Laboratories
  • Allyl chloride 99%
  • 100 g
  • $ 20.00
  • Sigma-Aldrich
  • Allyl chloride reagent grade, 98%
  • 2.5l
  • $ 170.00
  • Sigma-Aldrich
  • Allyl chloride ReagentPlus , 99%
  • 100ml
  • $ 51.00
  • Sigma-Aldrich
  • Allyl chloride 98.0% (returnable containers)
  • 820lb
  • $ 4328.00
  • Sigma-Aldrich
  • Allyl chloride 98.0% (returnable containers)
  • 410lb
  • $ 2524.00
  • Sigma-Aldrich
  • Allyl chloride 98.0% (returnable containers)
  • 180lb
  • $ 1570.00
Total 8 raw suppliers
Chemical Property of Allyl chloride
Chemical Property:
  • Appearance/Colour:colourless, light yellow or amber liquid 
  • Vapor Pressure:20.58 psi ( 55 °C) 
  • Melting Point:-136 °C 
  • Refractive Index:n20/D 1.414(lit.)  
  • Boiling Point:41.6 °C at 760 mmHg 
  • Flash Point:?20°F 
  • PSA:0.00000 
  • Density:0.939 g/cm3 
  • LogP:1.41120 
  • Storage Temp.:Refrigerator 
  • Solubility.:alcohol: miscible(lit.) 
  • Water Solubility.:3.6 G/L (20 ºC) 
  • XLogP3:1.5
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Rotatable Bond Count:1
  • Exact Mass:76.0079779
  • Heavy Atom Count:4
  • Complexity:17.2
  • Transport DOT Label:Flammable Liquid Poison
Purity/Quality:

98% *data from raw suppliers

Allyl Chloride *data from reagent suppliers

Safty Information:
  • Pictogram(s): FlammableF,HarmfulXn,Dangerous
  • Hazard Codes:F,Xn,N,T 
  • Statements: 45-46-11-20/21/22-36/37/38-48/20-50-68-40-39/23/24/25-23/24/25-48/23/24/25 
  • Safety Statements: 53-26-36/37-45-61-46-25-16-7 
MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:
  • Chemical Classes:Solvents -> Chlorinated Aliphatics
  • Canonical SMILES:C=CCCl
  • Inhalation Risk:A harmful contamination of the air can be reached very quickly on evaporation of this substance at 20 °C.
  • Effects of Short Term Exposure:The substance is irritating to the eyes, skin and respiratory tract. The substance may cause effects on the central nervous system. Inhalation of high concentrations of the vapour may cause lung oedema. The effects may be delayed.
  • Effects of Long Term Exposure:The substance may have effects on the peripheral nervous system, cardiovascular system, kidneys and liver. This may result in kidney impairment and liver impairment.
  • Physical properties Colorless to light brown to reddish-brown liquid with a pungent, unpleasant, garlic-like odor. An experimentally determined odor threshold concentration of 470 ppbv was reported by Leonardos et al. (1969).
  • Uses Allyl chloride (3-chloropropene; 1-chloro-2-propene) is a chemical intermediate used in the synthesis of allyl compounds found in varnish, resins, polymers, pesticides, and pharmaceuticals (O’Neil, 2001). Allyl chloride is used in the synthesis of glycerol, allyl alcohol and epichlorohydrin. Manufacture of epichlorohydrin, epoxy resin, glycerin pesticides, and sodium allyl sulfonate
Technology Process of Allyl chloride

There total 121 articles about Allyl 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:
Guidance literature:
With aluminum oxide; copper dichloride; dibenzoyl peroxide; at 489.9 ℃; for 0.000555556h; Product distribution; Mechanism; also other temperatures (503 K - 753 K) and initiators (chloral dioxyperoxide);
Guidance literature:
With zinc; In Petroleum ether; at 28 ℃; for 2h;
DOI:10.1021/jo00108a048
Guidance literature:
With aluminium; In tetrahydrofuran; at 70 - 75 ℃; for 7h; Product distribution; ultrasonic bath;
Refernces

Synthesis of 10-cyanoverticillene and its reactions directed toward the verticillol synthesis

10.1246/bcsj.69.221

The study explores the synthesis of 10-cyanoverticillene (8) as a key intermediate in the pursuit of verticillols. The researchers utilized geranyl cyanide (3) and allyl chloride (4) as starting materials, coupling them with SnCl4 to form axial and equatorial chlorides (6a and 6b). Through dehydrochlorination of these chlorides with LiCl in DMF, they obtained cyano ester (9) and other derivatives. The cyano ester (9) was then converted to cyano chloride (7), which underwent C-C bond formation with lithium bis(trimethylsilyl)amide to yield 10-cyanoverticillene (8). The study also involved selective oxidation of the tetrasubstituted double bond in 8 to produce epoxy-verticillene derivatives (15 and 16), and attempted hydride reduction of these epoxides under various conditions, leading to unexpected results such as dehydroxymethylation. Additionally, the synthesis of dl-verticillene (13) was achieved through reduction and deformylation reactions. The study provides insights into the synthesis of verticillols and the reactivity of the synthesized compounds.

Synthesis and antibacterial activities of novel C(3)-aminopyrimidinyl substituted cephalosporins

10.7164/antibiotics.53.1305

The study focuses on the synthesis and antibacterial activities of novel C(3)-aminopyrimidinyl substituted cephalosporins. Cephalosporins are widely used antibiotics, but many have become ineffective against respiratory tract infections due to resistance issues, particularly from penicillin-resistant Streptococcus pneumoniae (PRSP). To address this, researchers introduced a vinyl spacer at the C-3 position of the cephem nucleus and synthesized new cephalosporins with a C(3) substituted aminopyrimidinyl group. The synthesis involved coupling acid 3 with 7-ACLE in the presence of pyridine and phosphorous oxychloride to form intermediate 5, which was then reacted with nucleophiles (pyrimidinylthiol group) in DMF. The protecting groups were removed using trifluoroacetic acid (TFA) and anisole to obtain the final cephalosporins. Another series of compounds was prepared from chloride 5 via allyl chloride 6, using a Wittig reagent and subsequent displacement reactions. The synthesized compounds were tested for their antibacterial activities against various bacterial strains, including Gram-positive and Gram-negative bacteria, and showed improved activities against respiratory tract pathogens compared to the reference antibiotic cefdinir.

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