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3-[(4-Chlorophenyl)thio]pentane-2,4-dione is a chemical compound characterized by its molecular formula C11H11ClOS. It presents as a yellow to brown crystalline powder that is insoluble in water. 3-[(4-CHLOROPHENYL)THIO]PENTANE-2,4-DIONE is notable for its role in the synthesis of pharmaceutical drugs and agrochemicals, and it functions as a chemical intermediate in the production of other compounds. Its potential applications in medicinal chemistry and drug discovery are significant, given its capacity to modulate biological targets. However, it is crucial to handle this compound with care due to its potential harmful effects if mismanaged.

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  • 132787-93-0 Structure
  • Basic information

    1. Product Name: 3-[(4-CHLOROPHENYL)THIO]PENTANE-2,4-DIONE
    2. Synonyms: 3-[(4-CHLOROPHENYL)THIO]PENTANE-2,4-DIONE;3-(4-Chloro-phenylsulfanyl)-pentane-2,4-dione
    3. CAS NO:132787-93-0
    4. Molecular Formula: C11H11ClO2S
    5. Molecular Weight: 242.72
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 132787-93-0.mol
  • Chemical Properties

    1. Melting Point: 69 °C
    2. Boiling Point: 330 °C at 760 mmHg
    3. Flash Point: 153.4 °C
    4. Appearance: /
    5. Density: 1.26g/cm3
    6. Vapor Pressure: 0.000171mmHg at 25°C
    7. Refractive Index: 1.568
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. PKA: 8.12±0.59(Predicted)
    11. CAS DataBase Reference: 3-[(4-CHLOROPHENYL)THIO]PENTANE-2,4-DIONE(CAS DataBase Reference)
    12. NIST Chemistry Reference: 3-[(4-CHLOROPHENYL)THIO]PENTANE-2,4-DIONE(132787-93-0)
    13. EPA Substance Registry System: 3-[(4-CHLOROPHENYL)THIO]PENTANE-2,4-DIONE(132787-93-0)
  • Safety Data

    1. Hazard Codes: Xi
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 132787-93-0(Hazardous Substances Data)

132787-93-0 Usage

Uses

Used in Pharmaceutical Synthesis:
3-[(4-CHLOROPHENYL)THIO]PENTANE-2,4-DIONE is used as a key intermediate in the synthesis of pharmaceutical drugs for its ability to contribute to the development of new medicinal compounds.
Used in Agrochemical Production:
In the agrochemical industry, 3-[(4-CHLOROPHENYL)THIO]PENTANE-2,4-DIONE is utilized as a chemical intermediate, playing a crucial role in the creation of various agrochemicals that can enhance crop protection and yield.
Used in Medicinal Chemistry and Drug Discovery:
3-[(4-CHLOROPHENYL)THIO]PENTANE-2,4-DIONE is employed as a modulator of biological targets in medicinal chemistry, facilitating the discovery of new drugs with potential therapeutic applications.
Safety Consideration:
It is important to handle 3-[(4-CHLOROPHENYL)THIO]PENTANE-2,4-DIONE with caution due to its potential harmful effects, ensuring proper safety measures are in place during its use in research and industrial applications.

Check Digit Verification of cas no

The CAS Registry Mumber 132787-93-0 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,3,2,7,8 and 7 respectively; the second part has 2 digits, 9 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 132787-93:
(8*1)+(7*3)+(6*2)+(5*7)+(4*8)+(3*7)+(2*9)+(1*3)=150
150 % 10 = 0
So 132787-93-0 is a valid CAS Registry Number.
InChI:InChI=1/C11H11ClO2S/c1-7(13)11(8(2)14)15-10-5-3-9(12)4-6-10/h3-6,11H,1-2H3

132787-93-0SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 15, 2017

Revision Date: Aug 15, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-(4-chlorophenyl)sulfanylpentane-2,4-dione

1.2 Other means of identification

Product number -
Other names HMS566O12

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:132787-93-0 SDS

132787-93-0Relevant articles and documents

A Green Mechanochemical Synthesis of New 3,5-Dimethyl-4-(arylsulfanyl)pyrazoles

Saeed, Aamer,Channar, Pervaiz Ali

, p. 780 - 783 (2017/02/03)

A small series of new 3,5-dimethyl-4-(arylsulfanyl)pyrazoles have been synthesized in good to excellent yields by a grinding-induced, sequential one-pot three-component reaction, of an equimolar mixture of 3-chloro-2,4-pentanedione, differently substitute

K2S2O8/I2 promoted syntheses of α-thio-β-dicarbonyl compounds via oxidative C-S coupling reactions under transition metal-free and solvent-free conditions

Liu, Yi-Wei,Badsara, Satpal Singh,Liu, Yi-Chen,Lee, Chin-Fa

, p. 44299 - 44305 (2015/06/02)

A K2S2O8/I2 promoted C-S coupling reaction of β-diketones with disulfides has been described. The resulting α-thio-β-diketone compounds were obtained in good to excellent yields. Both diaryl and dialkyl disulfid

ORGANOSULFUR TRANSFER WITH DISULFIDES IN THE PRESENCE OF CCl4

Wenschuh, Eberhard,Hesselbarth, Frank

, p. 133 - 136 (2007/10/02)

Thiols and protic nucleophiles undergo sulfur-element bond formation in the presence of CCl4/ base.Sulfenylation of CH-acidic compounds with thiols occur via disulfides, formed in a preliminary step.Uses and advantages of this organosulfur transfer are de

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