2,3-Dichloropropionitrile

Base Information

• Chemical Name: 2,3-Dichloropropionitrile
• CAS No.: 2601-89-0
• Molecular Formula: C3H3Cl2N
• Molecular Weight: 123.97
• Hs Code.: 2942000000
• European Community (EC) Number: 220-007-4
• NSC Number: 38447
• DSSTox Substance ID: DTXSID501031015
• Nikkaji Number: J27.802E
• Mol file: 2601-89-0.mol

Synonyms:2,3-Dichloropropionitrile;2,3-Dichloropropanenitrile;2601-89-0;Propanenitrile, 2,3-dichloro-;alpha,beta-Dichloropropionitrile;C3H3Cl2N;2,3-Dichloropropiononitrile;CP 8885;EINECS 220-007-4;2,3-dichloro-propionitrile;2,3-Dichloropropanenitrile #;C3-H3-Cl2-N;Propionitrile, 2,3-dichloro-;SCHEMBL2160760;DTXSID501031015;NSC38447;Dibenzo[b,d]furan-2-sulfonylchloride;MFCD00013809;NSC 38447;NSC-38447;STL185626;AKOS000370369;AKOS016051606;LS-120857;FT-0600543;EN300-55890;Propionitrile, 2,3-dichloro- (6CI,7CI,8CI);J-506936

Chemical Property of 2,3-Dichloropropionitrile

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 0.484mmHg at 25°C
• Melting Point: 243 °C (decomp)
• Refractive Index: 1.452
• Boiling Point: 192.6 °C at 760 mmHg
• Flash Point: 83.9 °C
• PSA: 23.79000
• Density: 1.31 g/cm³
• LogP: 1.35618
• Storage Temp.: 2-8°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 122.9642545
• Heavy Atom Count: 6
• Complexity: 72.1

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dichloropropanenitrile 94% ^*data from reagent suppliers

Safty Information:

• Statements: 23/24/25
• Safety Statements: 23-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C(C#N)Cl)Cl
• Uses: 2,3-Dichloropropanenitrile is a reagent in the preparation of functionalized 3-aminothiphenes.

Technology Process of 2,3-Dichloropropionitrile

There total 6 articles about 2,3-Dichloropropionitrile 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: 98.4%

acrylonitrile (107-13-1,25014-41-9) → 2,3-dichloropropionitrile (2601-89-0)

Guidance literature:

With chlorine; magnesium carbonate; at 0 - 14 ℃; for 3h; Temperature;

Reference yield: 49.0%

acrylonitrile (107-13-1,25014-41-9) → 3-chloro-2-iodopropionitrile (75052-48-1) + 2,3-dichloropropionitrile (2601-89-0)

Guidance literature:

With iodine trichloride; at 20 ℃; for 13h;

DOI:10.1007/BF00960269

Reference yield:

2,2,3-trichloropropionitrile (813-74-1) → 2,3-dichloropropionitrile (2601-89-0)

Guidance literature:

With ethanol; triethyl phosphite;

DOI:10.1021/jo00829a067

upstream raw materials:

acrylonitrile

2,2,3-trichloropropionitrile

diethyl ether

dichloromethane

Downstream raw materials:

2-Chloroacrylonitrile

3-Amino-2-chlor-propionitril

2,3-dichloropropanoic acid

3-aminoisoxazole

Refernces

• 1、 Uemura,S. et al.. "-". . p. 1973 - 1975. Retrieved 1971.
• 2、 -. "Preparation method of 3-aminoisoxazole". Paragraph 0038-0040; 0043-0044; 0047-0048; 0051-0052. . Retrieved 2020/12/30.
• 3、 Amriev, R. A.,Velichko, F. K.,Baibuz, O. P.,Rilo, R. P.. "IODINE TRICHLORIDE - AN IODOCHLORINATION REAGENT OF UNSATURATED COMPOUNDS". . p. 2501 - 2504. Retrieved 2007/10/02.