2-Chloropropionitrile

Base Information

• Chemical Name: 2-Chloropropionitrile
• CAS No.: 1617-17-0
• Molecular Formula: C3H4ClN
• Molecular Weight: 89.5245
• Hs Code.: 2926909090
• European Community (EC) Number: 216-570-0,274-982-6
• DSSTox Substance ID: DTXSID401030864
• Nikkaji Number: J139B,J288.671E
• Mol file: 1617-17-0.mol

Synonyms:2-Chloropropionitrile;1617-17-0;2-Chloropropanenitrile;Propanenitrile, chloro-;CH3CHClCN;PROPANENITRILE, 2-CHLORO-;(+)-2-Chloropropiononitrile;70886-58-7;chloropropionitrile;Propanenitrile, 2-chloro- (9CI);2-chloropropanitrile;EINECS 274-982-6;C3-H4-Cl-N;ACMC-20anxk;ACMC-20dhb7;AC1LARX2;EINECS 216-570-0;2-Chloropropanenitrile #;Propionitrile, 2-chloro-;(+)-2-Chloropropanenitrile;2-Chloropropionitrile, 95%;(+/-)-2-Chloropropionitrile;DTXSID401030864;BCP10983;MFCD00001859;AKOS001073334;AKOS017269013;CS-0186625;FT-0697777;EN300-17422;J-009853;F1905-7105

Chemical Property of 2-Chloropropionitrile

Chemical Property:

• Vapor Pressure: 14mmHg at 25°C
• Melting Point: 54-55 °C
• Refractive Index: n20/D 1.413(lit.)
• Boiling Point: 122.4 °C at 760 mmHg
• Flash Point: 33.3 °C
• PSA: 23.79000
• Density: 1.075g/cm³
• LogP: 1.13728
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 89.0032268
• Heavy Atom Count: 5
• Complexity: 60.5

Purity/Quality:

99% ^*data from raw suppliers

2-Chloropropionitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 10-23/24/25-36/37/38
• Safety Statements: 16-26-27-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C#N)Cl
• Description: 2-Chloropropionitrile (2-CPN) is a colorless flammable liquid with a characteristic acrid odor.
• Uses: Major uses of this chemical are in pharmaceutics and polymer synthesis. 2-Chloropropionitrile was used as initiator during the single-pot atom-transfer radical polymerization under microwave irradiation for the synthesis of polyacrylonitrile. It was used in the synthesis of:nitrile functionalized methimazole-based ionic liquids(+)- and (-)-anatoxin

Technology Process of 2-Chloropropionitrile

There total 13 articles about 2-Chloropropionitrile 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: 70.0%

2-Chloropropionamide (27816-36-0) → 2-chlorpropionitrile (1617-17-0,70886-58-7)

Guidance literature:

With phosphorus pentaoxide; In 1,2-dimethoxyethane; for 1h; Heating;

Reference yield:

propiononitrile (107-12-0) → 3-Chloropropionitrile (542-76-7) + 2-chlorpropionitrile (1617-17-0,70886-58-7)

Guidance literature:

With chlorine; im UV-Licht;

Reference yield:

chlorine (7782-50-5) + propiononitrile (107-12-0) → 3-Chloropropionitrile (542-76-7) + 2-chlorpropionitrile (1617-17-0,70886-58-7)

Guidance literature:

in der Dampfphase im UV-Licht;

upstream raw materials:

2-hydroxy-propionitrile

2-Chloropropionamide

phosgene

propiononitrile

Downstream raw materials:

2-Methyl-4-phenyl-4-chlorobutyronitril

N-(Cyano-methyl-methyl)-N-(2,6-dimethyl-phenyl)-methanesulfonamide

2-(Cyano-methyl-methoxy)-4-(2,6-dichloro-4-trifluoromethyl-phenoxy)-benzonitrile

2-(N-Benzyl-propion-amidinium)-thiosulfat

Refernces

• 1、 Bredikhin, A. A.,Kirillovich, V. A.,Safin, I. A.,Vereshchagin, A. N.. "COMPETITION BETWEEN n,?- AND n,?-ORBITAL INTERACTIONS IN CHLORINATED ETHERS R-O-CHClR1". . p. 2185 - 2189. Retrieved 1991.
• 2、 Peng, Chi-How,Kong, Jing,Seeliger, Florian,Matyjaszewski, Krzysztof. "Mechanism of halogen exchange in ATRP". scheme or table. p. 7546 - 7557. Retrieved 2012/07/28.