Benzene,1-iodo-3,5-bis(methylsulfonyl)- supplier

Name
1-IODO-3,5-BIS(METHYLSULFONYL)BENZENE
EINECS
CAS No. 849035-96-7
Density 1.846 g/cm³
Solubility
Melting Point 212 °C
Formula C₈H₉IO₄S₂
Boiling Point 575 °C at 760 mmHg
Molecular Weight 360.1891
Flash Point 301.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Iodo-3,5-bis(methylsulphonyl)benzene;
PSA 85.04000
LogP 3.25980

Benzene,1-iodo-3,5-bis(methylsulfonyl)- Specification

The Benzene, 1-iodo-3, 5-bis(methylsulfonyl)-, with the CAS registry number 849035-96-7, is also known as 1-Iodo-3, 5-bis(methylsulphonyl)benzene. This chemical's molecular formula is C₈H₉IO₄S₂ and molecular weight is 360.1891. What's more, its IUPAC name is 1-Iodo-3, 5-bis(methylsulfonyl)benzene.

Physical properties about Benzene, 1-iodo-3, 5-bis(methylsulfonyl)- are: (1)ACD/LogP: 1.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.57; (5)ACD/BCF (pH 5.5): 9.15; (6)ACD/BCF (pH 7.4): 9.15; (7)ACD/KOC (pH 5.5): 169.7; (8)ACD/KOC (pH 7.4): 169.7; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 85.04 Å²; (13)Index of Refraction: 1.598; (14)Molar Refractivity: 66.56 cm³; (15)Molar Volume: 195 cm³; (16)Polarizability: 26.38×10^-24 cm³; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.846 g/cm³; (19)Flash Point: 301.5 °C; (20)Enthalpy of Vaporization: 82.94 kJ/mol; (21)Boiling Point: 575 °C at 760 mmHg; (22)Vapour Pressure: 1.26E-12 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(=O)(c1cc(cc(I)c1)S(=O)(=O)C)C
(2) InChI: InChI=1/C8H9IO4S2/c1-14(10,11)7-3-6(9)4-8(5-7)15(2,12)13/h3-5H,1-2H3
(3) InChIKey: UYRUGPWPAUYCBL-UHFFFAOYAI

Product Name

1-IODO-3,5-BIS(METHYLSULFONYL)BENZENE

Benzene,1-iodo-3,5-bis(methylsulfonyl)- Specification

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