2-Chloroacetamide

Base Information

• Chemical Name: 2-Chloroacetamide
• CAS No.: 79-07-2
• Molecular Formula: C2H4ClNO
• Molecular Weight: 93.5129
• Hs Code.: 29241900
• European Community (EC) Number: 201-174-2
• ICSC Number: 0640
• NSC Number: 54286,8408
• UN Number: 2811
• UNII: 2R97846T1L
• DSSTox Substance ID: DTXSID9041570
• Nikkaji Number: J1.491E
• Wikipedia: Chloroacetamide
• Wikidata: Q209345
• NCI Thesaurus Code: C161899
• Metabolomics Workbench ID: 131980
• ChEMBL ID: CHEMBL346368
• Mol file: 79-07-2.mol

Synonyms:chloracetamide;chloroacetamide

Chemical Property of 2-Chloroacetamide

Chemical Property:

• Appearance/Colour: White crystal
• Vapor Pressure: 0.05 mm Hg ( 20 °C)
• Melting Point: 116-118 °C(lit.)
• Refractive Index: 1.447
• Boiling Point: 256 °C at 760 mmHg
• PKA: 14.69±0.40(Predicted)
• Flash Point: 108.6 °C
• PSA: 43.09000
• Density: 1.268 g/cm³
• LogP: 0.41080
• Storage Temp.: Store below +30°C.
• Solubility.: methanol: soluble1g/10 mL
• Water Solubility.: Soluble in water(90g/L).
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 92.9981414
• Heavy Atom Count: 5
• Complexity: 44.9

Purity/Quality:

99% ^*data from raw suppliers

2-Chloroacetamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25-43-62
• Safety Statements: 22-36/37-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Uses -> Biocides/Disinfectants
• Canonical SMILES: C(C(=O)N)Cl
• Inhalation Risk: A harmful concentration of airborne particles can be reached quickly when dispersed, especially if powdered.
• Effects of Short Term Exposure: The substance is irritating to the eyes and skin.
• Effects of Long Term Exposure: Repeated or prolonged contact may cause skin sensitization. Animal tests show that this substance possibly causes toxicity to human reproduction or development.
• Description: Chloroacetamide is a preservative used in several applications such as in cutting metalwork fluids, in paints or in glues. It can induce contact dermatitis in hairdressers, or in shoemakers when used as a leather preservative.
• Uses: A component of herbicidal mixtures of cellulose biosynthesis inhibitors with VLCFA inhibitors. 2-Chloroacetamide is used as surface-active agent in home laundry, cleaning products & household formulated cleaners, other industrial uses, petroleum production, polymer processing. preservative in cosmetic and pharmaceutical creams, shampoos, bath lotions, etc.; preservative in glues, cooling fluids.

Technology Process of 2-Chloroacetamide

There total 68 articles about 2-Chloroacetamide 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: 93.0%

chloroacetonitrile (107-14-2) → Chloroacetamide (79-07-2)

Guidance literature:

With Amberlyst A-26 (OH^- form); dihydrogen peroxide; In methanol; at 20 ℃; for 2h;

Reference yield: 93.0%

N-chloro-alpha-chloroacetamide (35070-77-0) → Chloroacetamide (79-07-2)

Guidance literature:

With n-octyne; In dichloromethane; at 15 - 20 ℃; Irradiation;

Reference yield: 55.0%

sodium monochloroacetic acid (3926-62-3) → Chloroacetamide (79-07-2)

Guidance literature:

With ammonium chloride; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In water; acetonitrile; at 20 ℃; for 0.5h; Green chemistry;

DOI:10.1039/d1ob02064a

upstream raw materials:

Ketene

ethanol

dichlorodiacetamide

methyl chloroacetate

Downstream raw materials:

N-(4-chloro-phenyl)-glycine amide

2(Acetamido)thioessigsaeure

2-chloro-N-(2,2,2-trichloro-1-hydroxyethyl)acetamide

dichlorodiacetamide

Refernces

• 1、 Alotaibi, Faez,Halaweish, Fathi,Halaweish, Hossam,Iram, Surtaj,Kasten, Abigail,Kyeremateng, Jennifer,Ostlund, Trevor. "Triazole-estradiol analogs: A potential cancer therapeutic targeting ovarian and colorectal cancer". . . Retrieved 2021/12/27.
• 2、 -. "Synthesis method of diethyl cyanomethylphosphonate". Paragraph 0016-0017; 0020-0021; 0024-0025; 0028-0029. . Retrieved 2020/05/01.