CAS No.33775-94-9,2-IODOTHIOANISOLE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	33775-94-9
Name:	2-IODOTHIOANISOLE
Article Data:	8

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%.

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