2-Propanone,1-[(4-chlorophenyl)thio]- supplier

Name
(4-CHLOROPHENYLTHIO)ACETONE
EINECS
CAS No. 25784-83-2
Article Data6
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point 38-42 °C(lit.)
Formula C₉H₉ClOS
Boiling Point 287.4 °C at 760 mmHg
Molecular Weight 200.689
Flash Point 127.6 °C
Transport Information
Appearance White to yellow powder, crystals or crystalline powder and/or chunks
Safety 26-36/37/39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xn,Xi
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;
PSA 42.37000
LogP 3.02110

2-Propanone,1-[(4-chlorophenyl)thio]- 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^-24cm³; (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

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

Product Name

(4-CHLOROPHENYLTHIO)ACETONE

2-Propanone,1-[(4-chlorophenyl)thio]- Specification

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