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| CAS No.: | 25784-83-2 |
|---|---|
| Name: | (4-CHLOROPHENYLTHIO)ACETONE |
| Molecular Structure: | |
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|
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| Formula: | C9H9ClOS |
| Molecular Weight: | 200.689 |
| Synonyms: | 2-Propanone,(p-chlorophenylthio)- (6CI);2-Propanone, 1-[(p-chlorophenyl)thio]- (8CI);(4-Chlorophenylthio)acetone;1-(4-Chlorophenylthio)-2-propanone;1-[(4-Chlorophenyl)thio]acetone;NSC 274960;p-Chlorophenylthioacetone;1-[(4-Chlorophenyl)sulfanyl]propan-2-one; |
| Density: | 1.24 g/cm3 |
| Melting Point: | 38-42 °C(lit.) |
| Boiling Point: | 287.4 °C at 760 mmHg |
| Flash Point: | 127.6 °C |
| Appearance: | White to yellow powder, crystals or crystalline powder and/or chunks |
| Hazard Symbols: |
 Xn, Xi
|
| Risk Codes: | 22-37/38-41 |
| Safety: | 26-36/37/39 |
| PSA: | 42.37000 |
| LogP: | 3.02110 |
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Specification
The 2-Propanone,1-[(4-chlorophenyl)thio]-, with the CAS registry number 25784-83-2, is also known as (4-Chlorophenylthio)acetone. This chemical's molecular formula is C9H9ClOS and molecular weight is 200.69. What's more, its systematic name is 1-[(4-Chlorophenyl)sulfanyl]propan-2-one. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place. What's more, it should be protected from strong oxidizers.
Physical properties of 2-Propanone,1-[(4-chlorophenyl)thio]- are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 42.37 Å2; (7)Index of Refraction: 1.577; (8)Molar Refractivity: 53.59 cm3; (9)Molar Volume: 161.7 cm3; (10)Polarizability: 21.24×10-24 cm3; (11)Surface Tension: 44.8 dyne/cm; (12)Density: 1.24 g/cm3; (13)Flash Point: 127.6 °C; (14)Enthalpy of Vaporization: 52.66 kJ/mol; (15)Boiling Point: 287.4 °C at 760 mmHg; (16)Vapour Pressure: 0.00249 mmHg at 25°C.
Uses of 2-Propanone,1-[(4-chlorophenyl)thio]-: it can be used to produce 4'-Chlor-2-hydroxy-5-nitro-diphenylsulfid. It will need reagent aq. NaOH and solvent ethanol. The yield is about 70%.
![2-Propanone,1-[(4-chlorophenyl)thio]- can be used to produce 4'-Chlor-2-hydroxy-5-nitro-diphenylsulfid](/UserFilesUpload/Uses of 2-Propanone,1-[(4-chlorophenyl)thio]-.png)
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed and it is irritating to eyes, respiratory system and skin. What's more, it can cause serious damage to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)CSC1=CC=C(C=C1)Cl
(2)InChI: InChI=1S/C9H9ClOS/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5H,6H2,1H3
(3)InChIKey: VIUDWXCHYJJHLD-UHFFFAOYSA-N