2-Propanone,1-(phenylsulfonyl)- supplier

Name
BENZENESULFONYLACETONE
EINECS
CAS No. 5000-44-2
Article Data43
CAS DataBase
Density 1.228 g/cm³
Solubility
Melting Point 55-59 °C(lit.)
Formula C₉H₁₀O₃S
Boiling Point 371.7 °C at 760 mmHg
Molecular Weight 198.243
Flash Point 228.1 °C
Transport Information
Appearance light yellow crystalline powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Propanone,(phenylsulfonyl)- (6CI,7CI);(Phenylsulfonyl)acetone;(Phenylsulfonyl)acetylmethane;1-(Benzenesulfonyl)-2-propanone;1-(Phenylsulfonyl)-2-propanone;Acetonyl phenyl sulfone;
PSA 59.59000
LogP 2.13010

2-Propanone,1-(phenylsulfonyl)- Specification

The 2-Propanone,1-(phenylsulfonyl)-, with the CAS registry number 5000-44-2, has the systematic name of 1-(phenylsulfonyl)propan-2-one. It is a kind of light yellow crystalline powder, and beolongs to the product category of Benzene series. And the molecular formula of the chemical is C₉H₁₀O₃S. What's more, while dealing with this chemical, you should avoid contacting with skin and eyes.

The characteristics of 2-Propanone,1-(phenylsulfonyl)- are as followings: (1)ACD/LogP: -0.19; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 59.59 Å²; (7)Index of Refraction: 1.526; (8)Molar Refractivity: 49.57 cm³; (9)Molar Volume: 161.3 cm³; (10)Polarizability: 19.65×10^-24cm³; (11)Surface Tension: 41.1 dyne/cm; (12)Density: 1.228 g/cm³; (13)Flash Point: 228.1 °C; (14)Enthalpy of Vaporization: 61.87 kJ/mol; (15)Boiling Point: 371.7 °C at 760 mmHg; (16)Vapour Pressure: 1.02E-05 mmHg at 25°C.

Preparation of 2-Propanone,1-(phenylsulfonyl)-: This chemical can be prepared by phenylsulfanyl-acetone. The reaction will need reagent carbon disulfide and potassium permanganate.

Uses of 2-Propanone,1-(phenylsulfonyl)-: It can react with 3-bromo-propene to produce 3-Phenylsulfonyl-hex-5-en-2-on. This reaction will need reagent NaOH, and the menstruum H₂O. The reaction time is 16 hours with pH=10.0 under the ambient temperature, and the yield is about 95%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=S(=O)(c1ccccc1)CC(=O)C
(2)InChI: InChI=1/C9H10O3S/c1-8(10)7-13(11,12)9-5-3-2-4-6-9/h2-6H,7H2,1H3
(3)InChIKey: YBLGSNMIIPIRFC-UHFFFAOYAB

Product Name

BENZENESULFONYLACETONE

2-Propanone,1-(phenylsulfonyl)- Specification

Related Products

Hot Products