Acetyl chloride

Base Information

• Chemical Name: Acetyl chloride
• CAS No.: 75-36-5
• Molecular Formula: C2H3ClO
• Molecular Weight: 78.4982
• Hs Code.: 2915.90 Oral rat LD50: 910 mg/kg
• European Community (EC) Number: 200-865-6
• ICSC Number: 0210
• UN Number: 1717
• UNII: QD15RNO45K
• DSSTox Substance ID: DTXSID2023852
• Nikkaji Number: J1.453B
• Wikipedia: Acetyl chloride
• Wikidata: Q408038
• Metabolomics Workbench ID: 55629
• Mol file: 75-36-5.mol

Synonyms:acetyl chloride;acetylchloride

Chemical Property of Acetyl chloride

Chemical Property:

• Appearance/Colour: colourless to light yellow liquid with a pungent
• Melting Point: -112 °C
• Refractive Index: 1.3890
• Boiling Point: 46 °C at 760 mmHg
• Flash Point: 4.4 °C
• PSA: 17.07000
• Density: 1.12 g/cm³
• LogP: 0.77170
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 77.9872424
• Heavy Atom Count: 4
• Complexity: 33
• Transport DOT Label: Flammable Liquid Corrosive

Purity/Quality:

≥99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): F, C
• Hazard Codes: F:Flammable;;
• Statements: R11:; R14:; R34:
• Safety Statements: S1/2:; S9:; S16:; S26:; S45:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Toxic Gases & Vapors -> Acid Halides
• Canonical SMILES: CC(=O)Cl
• Inhalation Risk: No indication can be given about the rate at which a harmful concentration of this substance in the air is reached.
• Effects of Short Term Exposure: The substance is corrosive to the eyes and skin. The vapour is severely irritating to the eyes and respiratory tract. Corrosive on ingestion. Exposure at high concentrations could cause asphyxiation due to swelling in the throat. Inhalation of high concentrations may cause lung oedema, but only after initial corrosive effects on the eyes and the upper respiratory tract have become manifest. The effects may be delayed. Medical observation is indicated.
• Effects of Long Term Exposure: Repeated or chronic inhalation of the vapour may cause chronic inflammation of the upper respiratory tract. Repeated or prolonged inhalation of high concentrations may cause effects on the lungs.

Technology Process of Acetyl chloride

There total 275 articles about Acetyl 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: 80.0%

1,3-dichloro-2-butene (926-57-8) → methylphosphonic acid dichloroanhydride (676-97-1) + 1,2-dichloroethyl phosphorodichloridate (34838-28-3) + acetyl chloride (75-36-5) + chloromethylphosphonic dichloride (1983-26-2)

Guidance literature:

With oxygen; phosphorus trichloride; at -10 - 10 ℃; Product distribution; Mechanism;

Reference yield:

1-Acetoxy-4-methyl-pyridinium; chloride → 4-methylpyridine-1-oxide (1003-67-4) + acetyl chloride (75-36-5)

Guidance literature:

In dichloromethane; at 24.9 ℃; Equilibrium constant; various temp.;

Reference yield:

phosphorus pentachloride (10026-13-8,874483-75-7) + acetic acid (64-19-7,77671-22-8) → hydrogenchloride (7647-01-0,15364-23-5) + acetyl chloride (75-36-5) + trichlorophosphate (10025-87-3,12599-09-6,63736-95-8,39380-77-3)

Guidance literature:

In not given; react. with glacial acetic acid under effervescing; formation of gaseous HCl, POCl3 and CH3COCl;;

upstream raw materials:

pyridine

phosgene

acetic acid

Ketene

Downstream raw materials:

5-acetylamino-2-phenyl-1,2-dihydro-pyrazol-3-one

2-chloro-1-acetoxyethane

ethylene glycol diacetate

1,2,5-triacetoxypentane

Refernces

• 1、 Alexander, John J.,Wojcicki, Andrew. "Chemical decarbonylation of organometallic compounds". . p. 74 - 76. Retrieved 1973.
• 2、 Porter,Iloff. "-". . p. 6200. Retrieved 1974.
• 3、 Abbas, Qamar,Ashraf, Saba,Channar, Pervaiz Ali,Hassan, Abbas,Hassan, Mubashar,Rafique, Hummera,Raza, Hussain,Rind, Mahboob Ali,Saeed, Aamer,Seo, Sung-Yum,Ujan, Rabail,Ul-Hamid, Anwar. "Benzimidazole tethered thioureas as a new entry to elastase inhibition and free radical scavenging: Synthesis, molecular docking, and enzyme inhibitory kinetics". . . Retrieved 2021/07/02.
• 4、 Kumar, Honnavalli Yogish,Murumkar, Prashant R.,Pawar, Vijay,Srinivasan, B. P.,Yadav, M. R.. "Design and synthesis of novel N-[3-(benzimidazol-2-ylamino)phenyl]amine and N-[3-(benzoxazol-2-ylamino)phenyl]amine derivatives as potential anticancer agents". . . Retrieved 2021/10/20.