3-Bromophenylmethylsulfone supplier

Name
3-BROMOPHENYLMETHYLSULFONE
EINECS 639-429-9
CAS No. 34896-80-5
Article Data41
CAS DataBase
Density 1.595g/cm³
Solubility
Melting Point 100-104°C
Formula C₇H₇BrO₂S
Boiling Point 362.8 °C at 760 mmHg
Molecular Weight 235.101
Flash Point 173.2 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Sulfone,m-bromophenyl methyl (6CI);1-Bromo-3-methylsulfonylbenzene;3-Bromo(methylsulfonyl)benzene;3-Bromophenyl methyl sulfone;m-Bromo(methylsulfonyl)benzene;
PSA 42.52000
LogP 2.93340

3-Bromophenylmethylsulfone Specification

The Benzene,1-bromo-3-(methylsulfonyl)-, with CAS registry number 34896-80-5, belongs to the following product categories: (1)Miscellaneous; (2)Aromatics Compounds; (3)Aromatics; (4)Sulfur & Selenium Compounds. It has the systematic name of 1-bromo-3-(methylsulfonyl)benzene. This chemical is a kind of white solid.

Physical properties of Benzene,1-bromo-3-(methylsulfonyl)-: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.64; (4)ACD/LogD (pH 7.4): 1.64; (5)ACD/BCF (pH 5.5): 10.4; (6)ACD/BCF (pH 7.4): 10.4; (7)ACD/KOC (pH 5.5): 186.02; (8)ACD/KOC (pH 7.4): 186.02; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 42.52 Å²; (13)Index of Refraction: 1.563; (14)Molar Refractivity: 47.91 cm³; (15)Molar Volume: 147.3 cm³; (16)Polarizability: 18.99×10^-24cm³; (17)Surface Tension: 41.6 dyne/cm; (18)Enthalpy of Vaporization: 58.49 kJ/mol; (19)Vapour Pressure: 3.93E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1cc(Br)ccc1)C
(2)InChI: InChI=1/C7H7BrO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3
(3)InChIKey: WBOMXUMQOVQNKT-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C7H7BrO2S/c1-11(9,10)7-4-2-3-6(8)5-7/h2-5H,1H3
(5)Std. InChIKey: WBOMXUMQOVQNKT-UHFFFAOYSA-N

Product Name

3-BROMOPHENYLMETHYLSULFONE

3-Bromophenylmethylsulfone Specification

Related Products

Hot Products