3-Chloropropanal

Base Information

• Chemical Name: 3-Chloropropanal
• CAS No.: 19434-65-2
• Molecular Formula: C3H5 Cl O
• Molecular Weight: 92.5251
• Hs Code.: 2913000090
• DSSTox Substance ID: DTXSID40173060
• Nikkaji Number: J97.888D
• Wikidata: Q83043163
• Mol file: 19434-65-2.mol

Synonyms:3-CHLOROPROPANAL;19434-65-2;Propanal, 3-chloro-;Propanal, 3-chloro-(9CI);3-chloro-propionaldehyde;ss-Chlorpropionaldehyd;3-chloropropionaldehyde;beta-chloropropionaldehyde;ss--Chloropropionaldehyde;DTXSID40173060;AKOS006383185;SB85403;FT-0651956;EN300-313048;A813725

Chemical Property of 3-Chloropropanal

Chemical Property:

• Vapor Pressure: 9.68mmHg at 25°C
• Melting Point: <-20 °C
• Refractive Index: 1.4750 (estimate)
• Boiling Point: 130.5°Cat760mmHg
• Flash Point: 26.4°C
• PSA: 17.07000
• Density: 1.066g/cm³
• LogP: 0.81420
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 92.0028925
• Heavy Atom Count: 5
• Complexity: 28.1

Purity/Quality:

99%, ^*data from raw suppliers

3-Chloropropanal ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)C=O

Technology Process of 3-Chloropropanal

There total 17 articles about 3-Chloropropanal 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: 65.0%

acrolein (107-02-8,25068-14-8) → 2,4,6-tris(2'-chloroethyl)-1,3,5-trioxane (15678-07-6) + 3-chloropropanaldehyde (19434-65-2)

Guidance literature:

With hydrogenchloride; In diethyl ether; at -42 ℃;

DOI:10.1039/P19830000717

Reference yield:

isopropenylcyclopropane (4663-22-3) → 3-chloropropanaldehyde (19434-65-2) + Cyclopropyl methyl ketone (765-43-5) + 5-chloro-2-methyl-pent-2-ene (7712-60-9) + 1-Chloro-4-methyl-pent-3-en-2-ol

Guidance literature:

With chromyl chloride; Further byproducts given. Title compound not separated from byproducts;

DOI:10.1021/jo962348b

Reference yield:

isopropenylcyclopropane (4663-22-3) → 3-chloropropanaldehyde (19434-65-2) + Cyclopropyl methyl ketone (765-43-5) + 5-chloro-2-methyl-pent-2-ene (7712-60-9) + (1-chloro-1-methyl-ethyl)-cyclopropane (58673-35-1) + 1-Chloro-4-methyl-pent-3-en-2-ol + 1,4-Dichloro-4-methyl-pentan-3-one (191032-91-4)

Guidance literature:

With chromyl chloride; Mechanism;

DOI:10.1021/jo962348b

upstream raw materials:

acrolein

5-chloro-2-methyl-pent-2-ene

2-cyclopropyl-2-propanol

2-cyclopropylpropane

Downstream raw materials:

3-chloro-1,1-diethoxy-propane

3-chloro-1-phenyl-propan-1-ol

chloropropionic acid

acrolein

Refernces

• 1、 Dermer,Newcombe. "-". . p. 3417. Retrieved 1952.
• 2、 Miller, Kali A.,Morado, Ephraim G.,Samanta, Shampa R.,Walker, Brittany A.,Nelson, Arif Z.,Sen, Samya,Tran, Dung T.,Whitaker, Daniel J.,Ewoldt, Randy H.,Braun, Paul V.,Zimmerman, Steven C.. "Acid-Triggered, Acid-Generating, and Self-Amplifying Degradable Polymers". supporting information. p. 2838 - 2842. Retrieved 2019/03/05.