| Identification | More | [Name]
3-Chloropropiophenone | [CAS]
936-59-4 | [Synonyms]
3-CHLORO-1-OXO-1-PHENYLPROPANE
3-CHLORO-1-PHENYL-1-PROPANONE
3-CHLOROPROPIOPHENONE
B-CHLOROPROPIOPHENONE
BETA-CHLOROPROPIOPHENONE
2-Chloroethyl phenyl ketone
3-chloro-1-phenyl-1-propanon
3-Chloropropanophenone
beta-Chloroethyl phenyl ketone
omega-Chloropropiophenone
Propiophenone, 3-chloro-
3-Chloropropiophenone98%
-Chloro-Phenyl-1-Propanone
Chloropropiophenone, 98+%
beta-Chloropropiophenone,98+%
3-Chloropropiophenone, tech., 90%
á-chloropropiophenone
SS-CHLORO-PHENYL-1-PROPANONE
3-chloro-1-phenylpropan-1-one
3-Chloropropiophenone 90% | [EINECS(EC#)]
213-317-6 | [Molecular Formula]
C9H9ClO | [MDL Number]
MFCD00000990 | [Molecular Weight]
168.62 | [MOL File]
936-59-4.mol |
| Chemical Properties | Back Directory | [Appearance]
faintly yellow to tan crystalline powder | [Melting point ]
48-50 °C(lit.)
| [Boiling point ]
113-115 °C4 mm Hg(lit.)
| [density ]
1.1115 (rough estimate) | [refractive index ]
1.5350 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
Inert atmosphere,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid | [color ]
Off-White to Pale Yellow | [Stability:]
Stable. Incompatible with strong bases, strong oxidizing agents. | [Water Solubility ]
Insoluble | [BRN ]
2043580 | [InChI]
1S/C9H9ClO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2 | [InChIKey]
KTJRGPZVSKWRTJ-UHFFFAOYSA-N | [SMILES]
ClCCC(=O)c1ccccc1 | [CAS DataBase Reference]
936-59-4(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Propanone, 3-chloro-1-phenyl-(936-59-4) | [EPA Substance Registry System]
936-59-4(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H315-H319-H335 | [Precautionary statements ]
P261-P271-P280 | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S37/39:Wear suitable gloves and eye/face protection .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . | [WGK Germany ]
3
| [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
29147000 | [Storage Class]
11 - Combustible Solids |
| Hazard Information | Back Directory | [Description]
3-Chloropropiophenone is a chiral compound that is used as an antidepressant drug. It was first synthesized in the 1950s and has been studied extensively for its pharmacological effects. It is a racemic mixture of two enantiomers, one of which is active and the other inactive. The active enantiomer binds to serotonin receptors and inhibits the reuptake of serotonin, which leads to an increase in serotonin levels. The inactive enantiomer does not bind to serotonin receptors and does not inhibit the reuptake of serotonin. 3-Chloropropiophenone has been shown to be effective when administered at an optimum concentration of 5 milligrams per kilogram body weight. | [Chemical Properties]
faintly yellow to tan crystalline powder | [Uses]
3-Chloropropiophenone is an Impurity of Fluoxetine (F597100). | [Synthesis]
Adding 3' -chlorobenzene acetone and levorotatory prolinol into 95% ethanol and stirring; cooling after the reaction liquid is wholly dissolved; adding potassium borohydride into the reaction solution in batches, and preserving heat after adding; heating the reaction solution for reflux reaction, and concentrating the reaction solution under reduced pressure; adding n-hexane into the reaction solution, heating, and adding active carbon for heat preservation and decoloration; filtering the reaction solution, leaching a filter cake by using normal hexane, and collecting filtrate; crystallizing and filtering the filtrate, leaching the filter cake once with n-hexane, and drying in vacuum to obtain 3-Chloropropiophenone.
| [References]
[1] Synlett, 2016, vol. 27, # 5, p. 789 - 793
[2] Journal of Organic Chemistry USSR (English Translation), 1969, vol. 5, p. 323 - 326
[3] Zhurnal Organicheskoi Khimii, 1969, vol. 5, # 2, p. 337 - 340 |
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