(2H3)Acetyl chloride

Base Information

• Chemical Name: (2H3)Acetyl chloride
• CAS No.: 19259-90-6
• Molecular Formula: C2Cl D3 O
• Molecular Weight: 81.4744
• Hs Code.: 28459000
• European Community (EC) Number: 242-925-4
• DSSTox Substance ID: DTXSID60172858
• Nikkaji Number: J247.672J
• Wikidata: Q83042944
• Mol file: 19259-90-6.mol

Synonyms:19259-90-6;acetyl-d3 chloride;Acetyl chloride-d3;(2H3)Acetyl chloride;2,2,2-trideuterioacetyl chloride;Acetylchloride-d3;Acetyl-d3 chloride (6CI,7CI,8CI,9CI);ACETYL CHLORIDE-D3-D;EINECS 242-925-4;[2H3]acetyl chloride;ACETYL-D3 CHLORIDE(6CI,7CI,8CI,9CI);(?H?)acetyl chloride;C2ClD3O;C2-Cl-D3-O;DTXSID60172858;CHEBI:192401;Acetyl chloride-d3, 99 atom % D;MFCD00000721;AKOS015903541;CS-T-47007;AS-75517;D98798;J-012456

Chemical Property of (2H3)Acetyl chloride

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 4.97 psi ( 20 °C)
• Melting Point: -112 °C(lit.)
• Refractive Index: n20/D 1.3865(lit.)
• Boiling Point: 52 °C(lit.)
• Flash Point: 40 °F
• PSA: 17.07000
• Density: 1.146 g/mL at 25 °C
• LogP: 0.77170
• Storage Temp.: 2-8°C
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 81.0060726
• Heavy Atom Count: 4
• Complexity: 33

Purity/Quality:

98%min ^*data from raw suppliers

Acetyl-d3 Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): FC
• Hazard Codes: F,C
• Statements: 11-14-34
• Safety Statements: 9-16-23-45-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)Cl
• Isomeric SMILES: [2H]C([2H])([2H])C(=O)Cl
• Uses: ACETYL CHLORIDE-D3 is a derivative of acetic acid, a weak acid, used as a reagent in numerous industrial processes.

Technology Process of (2H3)Acetyl chloride

There total 7 articles about (2H3)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: 90.0%

tetradeuterioacetic acid (1186-52-3) → [2H3]acetyl chloride (19259-90-6)

Guidance literature:

With zinc(II) chloride; phosphorus trichloride;

Reference yield:

d(3)-acetic acid (1112-02-3) → [2H3]acetyl chloride (19259-90-6)

Guidance literature:

With benzoyl chloride;

DOI:10.1021/ja00381a020

Reference yield:

→ [2H3]acetyl chloride (19259-90-6)

Guidance literature:

With trichlorophosphate;

DOI:10.1002/hlca.19370200117

upstream raw materials:

d⁽³⁾-acetic acid

tetradeuterioacetic acid

sodium trideuterioacetate

methoxychlorocarbene-d3

Downstream raw materials:

2,2,2-trideuteroethanol

2,4-dinitrophenyl acetate

p-nitrophenyl acetate-d3

trideuterioacetylpentamethylbenzene

Refernces

• 1、 Lewis et al.. "". . p. 1959. Retrieved 1961.
• 2、 Huy, Peter H.,Mbouhom, Christelle. "Formamide catalyzed activation of carboxylic acids-versatile and cost-efficient amidation and esterification". . p. 7399 - 7406. Retrieved 2019/08/20.
• 3、 Bowen, Richard D.,Edwards, Howell G. M.,Farwell, Dennis W.,Morgan, Sara E. "Raman spectroscopy of n-pentyl methyl ether and deuterium labelledanalogues". scheme or table. p. 1725 - 1734. Retrieved 2012/04/04.