-
Name
Tolyl diiodomethyl sulfone
- EINECS 243-468-3
- CAS No. 20018-09-1
- Article Data4
- CAS DataBase
- Density 2.274 g/cm3
- Solubility
- Melting Point
- Formula C8H8I2O2S
- Boiling Point 420.1 °C at 760 mmHg
- Molecular Weight 422.025
- Flash Point 207.9 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- 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;
- PSA 42.52000
- LogP 4.00310
Tolyl diiodomethyl sulfone Consensus Reports
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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