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CAS No.: | 19259-10-0 |
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Name: | 2,3,5-Triiodothiophene |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C4HI3S |
Molecular Weight: | 461.831 |
Synonyms: | 2,3,5-Triiodothiophene; |
Density: | 3.182 g/cm3 |
Boiling Point: | 367.8 °C at 760 mmHg |
Flash Point: | 176.2 °C |
PSA: | 28.24000 |
LogP: | 3.56190 |
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The Thiophene,2,3,5-triiodo- has the CAS registry number 19259-10-0. It belongs to the product category of Thiophens. This chemical's molecular formula is C4HI3S and molecular weight is 461.83. What's more, its systematic name is 2,3,5-triiodothiophene.
Physical properties of Thiophene,2,3,5-triiodo- are: (1)ACD/LogP: 3.99; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.99; (4)ACD/BCF (pH 5.5): 635.69; (5)ACD/KOC (pH 5.5): 3533.17; (6)#Freely Rotating Bonds: 0; (7)Polar Surface Area: 28.24 Å2; (8)Index of Refraction: 1.823; (9)Molar Refractivity: 63.35 cm3; (10)Molar Volume: 145.1 cm3; (11)Polarizability: 25.11×10-24cm3; (12)Surface Tension: 68.3 dyne/cm; (13)Density: 3.182 g/cm3; (14)Flash Point: 176.2 °C; (15)Enthalpy of Vaporization: 59.02 kJ/mol; (16)Boiling Point: 367.8 °C at 760 mmHg; (17)Vapour Pressure: 2.83E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by thiophene ester by heating. This reaction will need reagents HIO3, H2SO4, I2 and solvents CCl4, H2O, acetic acid with the reaction time of 100 hours. The yield is about 77%.
Uses of Thiophene,2,3,5-triiodo-: it can be used to produce 2,3-diiodo-5-nitro-thiophene, 3,5-diiodo-2-nitro-thiophene at the temperature of 0 °C. It will need reagents HNO3, acetic anhydride with the reaction time of 15 min. The yield is about 46%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(SC(=C1I)I)I
(2)InChI: InChI=1S/C4HI3S/c5-2-1-3(6)8-4(2)7/h1H
(3)InChIKey: SDXARNIQCDXCCG-UHFFFAOYSA-N