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1-Bromo-2-(methylsulfonyl)benzene

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Name

1-Bromo-2-(methylsulfonyl)benzene

EINECS N/A
CAS No. 33951-33-6 Density 1.595 g/cm3
PSA 42.52000 LogP 2.93340
Solubility N/A Melting Point 106-110 °C
Formula C7H7BrO2S Boiling Point 361.6 °C at 760 mmHg
Molecular Weight 235.101 Flash Point 172.5 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 33951-33-6 (1-Bromo-2-(methylsulfonyl)benzene) Hazard Symbols IrritantXi
Synonyms

Sulfone,o-bromophenyl methyl (6CI,8CI);1-Bromo-2-(methylsulfonyl)benzene;2-Bromophenyl methyl sulfone;o-Bromo(methylsulfonyl)benzene;o-Bromophenylmethyl sulfone;

Article Data 27

1-Bromo-2-(methylsulfonyl)benzene Specification

This chemical is called Benzene, 1-bromo-2-(methylsulfonyl)-, and its systematic name is 1-bromo-2-(methylsulfonyl)benzene. With the molecular formula of C7H7BrO2S, its molecular weight is 235.11. The CAS registry number of this chemical is 33951-33-6. Additionally, its product category is Thioderivates.

Other characteristics of the Benzene, 1-bromo-2-(methylsulfonyl)- can be summarised as followings: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.03; (4)ACD/LogD (pH 7.4): 1.03; (5)ACD/BCF (pH 5.5): 3.58; (6)ACD/BCF (pH 7.4): 3.58; (7)ACD/KOC (pH 5.5): 86.64; (8)ACD/KOC (pH 7.4): 86.64; (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)Density: 1.595 g/cm3; (19)Flash Point: 172.5 °C; (20)Enthalpy of Vaporization: 58.35 kJ/mol; (21)Boiling Point: 361.6 °C at 760 mmHg; (22)Vapour Pressure: 4.26E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing if you use it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure: 
1.SMILES: O=S(=O)(c1ccccc1Br)C
2.InChI: InChI=1/C7H7BrO2S/c1-11(9,10)7-5-3-2-4-6(7)8/h2-5H,1H3
3.InChIKey: KEBPSJRKAZKUKP-UHFFFAOYAL

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