3-Chloropropiophenone

Base Information

Chemical Name:3-Chloropropiophenone
CAS No.:936-59-4
Molecular Formula:C9H9ClO
Molecular Weight:168.623
Hs Code.:29147000
European Community (EC) Number:213-317-6
NSC Number:227202,37238
UNII:WBZ9Q23H2T
DSSTox Substance ID:DTXSID5061324
Nikkaji Number:J31.121I
Wikidata:Q72457965
Mol file:936-59-4.mol

Synonyms:3-chloro-1-phenylpropan-1-one

Suppliers and Price of 3-Chloropropiophenone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

AHH
3-Chloropropiophenone 98%
500g
$ 518.00

AK Scientific
3-Chloropropiophenone
5g
$ 14.00

AK Scientific
3-Chloropropiophenone
1kg
$ 250.00

Alfa Aesar
3-Chloropropiophenone, 96%
50g
$ 154.00

Alfa Aesar
3-Chloropropiophenone, 96%
10g
$ 42.30

Alfa Aesar
3-Chloropropiophenone, 96%
100g
$ 263.00

Ambeed
3-Chloropropiophenone 98%
5g
$ 8.00

Ambeed
3-Chloropropiophenone 98%
10g
$ 10.00

Ambeed
3-Chloropropiophenone 98%
25g
$ 13.00

Ambeed
3-Chloropropiophenone 98%
100g
$ 33.00

Total 160 raw suppliers

Chemical Property of 3-Chloropropiophenone

Chemical Property:

Appearance/Colour:faintly yellow to tan crystalline powder
Melting Point:48-50 °C(lit.)
Refractive Index:1.5350 (estimate)
Boiling Point:263.3 °C at 760 mmHg
Flash Point:127 °C
PSA：17.07000
Density:1.132 g/cm³
LogP:2.49820
Storage Temp.:Inert atmosphere,Room Temperature
Solubility.:Chloroform (Slightly), Methanol (Slightly)
Water Solubility.:Insoluble
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:3
Exact Mass:168.0341926
Heavy Atom Count:11
Complexity:128

Purity/Quality:

99%+ ^*data from raw suppliers

3-Chloropropiophenone 98% ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 37/39-26-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:C1=CC=C(C=C1)C(=O)CCCl
Uses 3-Chloropropiophenone is an Impurity of Fluoxetine (F597100). 3-Chloropropiophenone was used in the asymmetric reduction of (S)-3-chloro-1-phenylpropanol using preheated Candida utilis cells immobilized in calcium alginate gel beads. It was also used in the synthesis of (R)-3-chloro-1-phenyl-1-propanol via asymmetric reduction using in-situ generated oxazaborolidine catalyst derived from (S)-α,α-diphenylprolinol. It is a precursor of phenyl vinyl ketone.

Technology Process of 3-Chloropropiophenone

There total 21 articles about 3-Chloropropiophenone 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: 100.0%

: 625-36-5
2-chloropropionyl chloride

: 71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1
benzene

: 936-59-4
3-chloropropiophenone

Guidance literature:: With aluminum (III) chloride; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

Reference yield: 97.0%

: 104-52-9
phenylpropyl chloride

: 936-59-4
3-chloropropiophenone

Guidance literature:: With Oxone; potassium bromide; In dichloromethane; water; at 20 ℃; for 24h; visible light irradiation;
DOI:10.1021/ol300853z

Reference yield: 93.0%

: 18776-12-0,125712-82-5
3-chloro-1-phenyl-propan-1-ol

: 936-59-4
3-chloropropiophenone

Guidance literature:: With dihydrogen peroxide; acetic acid; sodium bromide; In water; at 60 ℃; for 2h; Inert atmosphere;
DOI:10.1055/s-0035-1560549