Chloroacetaldehyde

Base Information

• Chemical Name: Chloroacetaldehyde
• CAS No.: 107-20-0
• Molecular Formula: C2H3ClO
• Molecular Weight: 78.4982
• Hs Code.: 29130000
• European Community (EC) Number: 203-472-8
• ICSC Number: 0706
• UN Number: 2232
• UNII: CF069F5D9C
• DSSTox Substance ID: DTXSID4020292
• Nikkaji Number: J4.060F
• Wikipedia: Chloroacetaldehyde
• Wikidata: Q1950418
• Metabolomics Workbench ID: 51492
• ChEMBL ID: CHEMBL506976
• Mol file: 107-20-0.mol

Synonyms:2-chloroacetaldehyde;chloroacetaldehyde;chloroacetaldehyde hydrate

Chemical Property of Chloroacetaldehyde

Chemical Property:

• Appearance/Colour: A clear colorless liquid with a pungent odor
• Vapor Pressure: 70.6mmHg at 25°C
• Melting Point: -28~-23°C
• Refractive Index: n20/D 1.407
• Boiling Point: 85 °C at 760 mmHg
• Flash Point: 128°F
• PSA: 17.07000
• Density: 1.117 g/cm³
• LogP: 0.42410
• Sensitive.: Air Sensitive
• Solubility.: Soluble in ether (Weast, 1986), acetone, and methanol (Hawley, 1981)
• Water Solubility.: soluble in acetone, methanol. Fully miscible in water.
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 77.9872424
• Heavy Atom Count: 4
• Complexity: 20
• Transport DOT Label: Poison Inhalation Hazard

Purity/Quality:

Chloroacetaldehyde(~45%inwater) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T+; N
• Hazard Codes: T+,N
• Statements: 24/25-26-34-40-50-35
• Safety Statements: 26-28-36/37/39-45-61

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Other Toxic Gases & Vapors
• Canonical SMILES: C(C=O)Cl
• 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: Corrosive. The vapour is corrosive to the eyes, skin and respiratory tract. Inhalation of high concentrations of the vapour may cause lung oedema. The effects may be delayed. Medical observation is indicated.
• Physical properties: Clear, colorless liquid with an irritating, acrid odor
• Uses: In the manufacture of 2- aminothiazole; to facilitate bark removal from tree trunks; formed during the chlorination of drinking water; a metabolite of vinyl chloride Chloroacetaldehyde is used in the productionof 2-aminothiazole.

Technology Process of Chloroacetaldehyde

There total 120 articles about Chloroacetaldehyde 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:

acetaldehyde (75-07-0,9002-91-9) → 2-chloroethanal (107-20-0) + 3-oxobutyraldehyde (625-34-3) + butanedial (638-37-9) + acetyl chloride (75-36-5) + dimethylglyoxal (431-03-8)

Guidance literature:

With chlorine; In gas; at 298 ℃; for 1.66667E-06h; under 1 Torr; Rate constant; Product distribution; Thermodynamic data; other time, different concentration of Cl₂;

Reference yield:

C10H9ClO3 → 2-chloroethanal (107-20-0) + benzaldehyde (100-52-7)

Guidance literature:

In benzene; Rate constant;

DOI:10.1021/jo971201x

Reference yield:

2-chloroethyl 2-oxo-2-phenylacetate (22964-15-4) → 2-chloroethanal (107-20-0) + benzaldehyde (100-52-7) + Oxo-phenyl-acetic acid vinyl ester

Guidance literature:

In benzene; Product distribution; Mechanism; Irradiation;

DOI:10.1021/jo971201x

upstream raw materials:

formaldehyd

dichloromethane

diethyl ether

chloral hydrate

Downstream raw materials:

1-Chlor-3-nitro-butan-2-ol

1-chloro-butan-2-ol

1-chloro-3-nitro-propan-2-ol

ethyl acetate

Refernces

• 1、 Orlando,Tyndall. "Oxidation mechanisms for ethyl chloride and ethyl bromide under atmospheric conditions". . p. 312 - 319. Retrieved 2002.
• 2、 Bravo, Ivan,Rodriguez, Ana,Rodriguez, Diana,Diaz-De-Mera, Yolanda,Notario, Alberto,Aranda, Alfonso. "Atmospheric chemistry and environmental assessment of inhalational fluroxene". . p. 3834 - 3842. Retrieved 2013.
• 3、 Hatch,Alexander. "-". . p. 688. Retrieved 1945.
• 4、 Dunogues,J. et al.. "-". . p. C11 - C17. Retrieved 1973.
• 5、 Sharma, Pradeep K.. "Kinetics and mechanism of the oxidative regeneration of carbonyl compounds from oximes by pyridinium bromochromate". . p. 364 - 368. Retrieved 2006.
• 6、 Sharma, Ajay,Vyas, Neha,Choudhary,Prasadrao, Ptsrk,Sharma, Vinita. "Oxidative regeneration of carbonyl compounds from oximes by pyridinium fluorochromate: A kinetic and mechanistic study". . p. 2792 - 2796. Retrieved 2013.
• 7、 Virta, Piritta,Koch, Andreas,Roslund, Mattias U.,Mattjus, Peter,Kleinpeter, Erich,Kronberg, Leif,Sjoeholm, Rainer,Klika, Karel D.. "Synthesis, characterisation and theoretical calculations of 2,6-diaminopurine etheno derivatives". . p. 2924 - 2929. Retrieved 2005.
• 8、 Virta, Piritta,Holmstroem, Toni,Roslund, Mattias U.,Mattjus, Peter,Kronberg, Leif,Sjoeholm, Rainer. "New nucleoside analogs from 2-amino-9-(β-d-ribofuranosyl)purine". . p. 821 - 827. Retrieved 2004.
• 9、 Griesbaum, Karl,Schlindwein, Konrad. "Nucleophilic Substitution Reactions at Chloro-Substituted Ozonides and at a Chlorinated Dimeric Peroxide". . p. 8062 - 8066. Retrieved 1995.
• 10、 Pan, Li,Zhang, Huaisheng,Zhao, Jingjin,Ogungbe, Ifedayo Victor,Zhao, Shulin,Liu, Yi-Ming. "A New One-Pot Fluorescence Derivatization Strategy for Highly Sensitive MicroRNA Analysis". . p. 5639 - 5647. Retrieved 2020.