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Tolyl diiodomethyl sulfone

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Name

Tolyl diiodomethyl sulfone

EINECS 243-468-3
CAS No. 20018-09-1 Density 2.274 g/cm3
PSA 42.52000 LogP 4.00310
Solubility N/A Melting Point N/A
Formula C8H8I2O2S Boiling Point 420.1 °C at 760 mmHg
Molecular Weight 422.025 Flash Point 207.9 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 20018-09-1 (Tolyl diiodomethyl sulfone) Hazard Symbols N/A
Synonyms

Sulfone,diiodomethyl p-tolyl (8CI);4-Tolyl diiodomethyl sulfone;A 9248;ABG 2000;Amical 48;Amical 50;Amical 81;Amical Flowable;Amical WP;DM 95;DP 1104;Diiodomethyl 4-tolyl sulfone;Diiodomethyl p-tolyl sulfone;Microban AdditiveAF;Mil-Kil;Surfasept 74859;Ultra-Fresh 15;Ultra-Fresh 95;Ultra-Fresh DM95;Ultra-Fresh UF 95;Yotoru D;p-Methylphenyl diiodomethyl sulfone;p-Tolyldiiodomethyl sulfone;p-[(Diiodomethyl)sulfonyl]toluol;

Article Data 4

Tolyl diiodomethyl sulfone Consensus Reports

Reported in EPA TSCA Inventory.

Tolyl diiodomethyl sulfone Specification

The Tolyl diiodomethyl sulfone, with the CAS registry number 20018-09-1,is also known as 4-Methylphenyl diiodomethyl sulfone; 1-((Diiodomethyl)sulfonyl)-4-methyl-benzene. It belongs to the product categories of Benzene series.Its EINECS number is 243-468-3. This chemical's molecular formula is C8H8I2O2S and molecular weight is 422.02. What's more,Its systematic name is p-((Diiodomethyl)sulphonyl)toluene.When heated to decomposition it emits toxic vapors of SOx and I.

Physical properties about Tolyl diiodomethyl sulfone are:
(1)ACD/LogP:  3.449; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  3.45; (4)ACD/LogD (pH 7.4):  3.45; (5)ACD/BCF (pH 5.5):  246.16; (6)ACD/BCF (pH 7.4):  246.16; (7)ACD/KOC (pH 5.5):  1791.58; (8)ACD/KOC (pH 7.4):  1791.58; (9)#H bond acceptors:  2; (10)#H bond donors:  0; (11)#Freely Rotating Bonds:  2; (12)Index of Refraction:  1.687; (13)Molar Refractivity:  70.657 cm3; (14)Molar Volume:  185.515 cm3; (15)Surface Tension:  57.5880012512207 dyne/cm; (16)Density:  2.275 g/cm3; (17)Flash Point:  207.886 °C; (18)Enthalpy of Vaporization:  64.781 kJ/mol; (19)Boiling Point:  420.128 °C at 760 mmHg; (20) Vapour Pressure:  0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O=S(=O)(c1ccc(cc1)C)C(I)I;
(2)Std. InChI:InChI=1S/C8H8I2O2S/c1-6-2-4-7(5-3-6)13(11,12)8(9)10/h2-5,8H,1H3;
(3)Std. InChIKey:XOILGBPDXMVFIP-UHFFFAOYSA-N.

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