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| CAS No.: | 33775-94-9 |
|---|---|
| Name: | 2-IODOTHIOANISOLE |
| Molecular Structure: | |
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|
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| Formula: | C7H7IS |
| Molecular Weight: | 250.103 |
| Synonyms: | 1-iodo-2-(methylthio)benzene; |
| EINECS: | -0 |
| Density: | 1.787 g/cm3 |
| Boiling Point: | 253 °C at 760 mmHg |
| Flash Point: | 106.8 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | R35; R34; R21/22 |
| PSA: | 25.30000 |
| LogP: | 3.01310 |
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Specification
The CAS register number of 1-iodo-2-methylsulfanyl-benzene is 33775-94-9. The systematic name about this chemical is 1-iodo-2-(methylsulfanyl)benzene. The molecular formula about this chemical is C7H7IS and the molecular weight is 250.1.
Physical properties about 1-iodo-2-methylsulfanyl-benzene are: (1)ACD/LogP: 3.90; (2)#Freely Rotating Bonds: 1; (3)Polar Surface Area: 25.3 Å2; (4)Index of Refraction: 1.67; (5)Molar Refractivity: 52.31 cm3; (6)Molar Volume: 139.9 cm3; (7)Polarizability: 20.73x10-24cm3; (8)Surface Tension: 48.8 dyne/cm; (9)Density: 1.78 g/cm3; (10)Flash Point: 106.8 °C; (11)Enthalpy of Vaporization: 47.06 kJ/mol; (12)Boiling Point: 253 °C at 760 mmHg; (13)Vapour Pressure: 0.0298 mmHg at 25 °C.
Uses of 1-iodo-2-methylsulfanyl-benzene: it can be used to produce 1-methylsulfanyl-2-pent-1-ynyl-benzene with pent-1-ynyl-copper. This reaction will need solvent of dimethylformamide. This reaction needs heating. The reaction time is 20 hours. The yield is about 70%.
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You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccccc1SC
(2)InChI: InChI=1/C7H7IS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
(3)InChIKey: YENHZHSFWAPGIR-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C7H7IS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
(5)Std. InChIKey: YENHZHSFWAPGIR-UHFFFAOYSA-N