1-Chloro-1-phenyl-propan-2-one

Base Information

• Chemical Name: 1-Chloro-1-phenyl-propan-2-one
• CAS No.: 4773-35-7
• Molecular Formula: C9H9ClO
• Molecular Weight: 168.623
• Hs Code.: 2914700090
• NSC Number: 38444
• Nikkaji Number: J1.063.562D
• Mol file: 4773-35-7.mol

Synonyms:1-Chloro-1-phenyl-propan-2-one;4773-35-7;1-chloro-1-phenylpropan-2-one;NSC38444;a-chloro-a-phenylacetone;SCHEMBL356020;KFPLPFVPPOJDFF-UHFFFAOYSA-N;MFCD04614623;NSC-38444;AKOS008967086;EN300-06746

Chemical Property of 1-Chloro-1-phenyl-propan-2-one

Chemical Property:

• Vapor Pressure: 0.0747mmHg at 25°C
• Boiling Point: 228.1°C at 760 mmHg
• Flash Point: 112.8°C
• PSA: 17.07000
• Density: 1.139g/cm³
• LogP: 2.55550
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 168.0341926
• Heavy Atom Count: 11
• Complexity: 139

Purity/Quality:

99% ^*data from raw suppliers

1-CHLORO-1-PHENYL-PROPAN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C(C1=CC=CC=C1)Cl

Technology Process of 1-Chloro-1-phenyl-propan-2-one

There total 19 articles about 1-Chloro-1-phenyl-propan-2-one 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: 97.0%

1-phenyl-acetone (103-79-7,136675-26-8) → 1-chloro-1-phenylpropan-2-one (4773-35-7)

Guidance literature:

With sulfuryl dichloride;

DOI:10.1002/pro.2260

Reference yield: 89.0%

((E)-2-Chloro-1-methyl-2-phenyl-vinyl)-phenyl-amine (86396-63-6) → 1-chloro-1-phenylpropan-2-one (4773-35-7)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; for 0.5h; Heating;

Reference yield: 71.0%

1-phenyl-acetone (103-79-7,136675-26-8) → 1-chloro-3-phenylpropan-2-one (937-38-2) + 1-chloro-1-phenylpropan-2-one (4773-35-7)

Guidance literature:

With [bis(acetoxy)iodo]benzene; iron(III) chloride hexahydrate; In acetic acid; at 20 ℃; for 10h; Inert atmosphere;

DOI:10.1002/adsc.201700833

upstream raw materials:

1-phenyl-1-thiocyanatopropan-2-one

1-acetylsulfanyl-1-phenyl-acetone

1-phenyl-acetone

2,2-dichloro-1,3-diphenylpropane-1,3-diol

Downstream raw materials:

2-benzoyloxypropiophenone

benzoic acid 2-oxo-1-phenyl-propyl ester

1-phenoxy-1-phenylpropan-2-one

1-(benzenesulfonyl)-1-phenylpropan-2-one