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Sulfur, pentafluoro(4-iodophenyl)-

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Name

Sulfur, pentafluoro(4-iodophenyl)-

EINECS N/A
CAS No. 286947-68-0 Density N/A
PSA 25.30000 LogP 4.94860
Solubility 1.012 mg/L in water at 25 ºC Melting Point 36 °C
Formula C6H4F5IS Boiling Point 52 ºC/0.8 mmHg
Molecular Weight 330.06 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 286947-68-0 (1-IODO-4-(PENTAFLUOROSULFANYL)BENZENE) Hazard Symbols IrritantXi
Synonyms

1-iodo-4-(pentafluoro-λ6-sulfanyl)benzene;4-Iodophenylsulfur Pentafluoride;4-Iodophenylsulphur pentafluoride;1-Iodo-4-(pentafluorothio)benzene;

Article Data 13

Sulfur, pentafluoro(4-iodophenyl)- Specification

The Sulfur, pentafluoro(4-iodophenyl)-, with the CAS registry number 286947-68-0, is also known as 4-Iodophenylsulfur Pentafluoride. It belongs to the product categories of Halides; Phenyls & Phenyl-Het. This chemical's molecular formula is C6H4F5IS and formula weight is 330.06. What's more, its systematic name is 1-iodo-4-(pentafluoro-λ6-sulfanyl)benzene. It should be stored in refrigerator.

Physical properties of Sulfur, pentafluoro(4-iodophenyl)- are: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.39; (4)ACD/LogD (pH 7.4): 4.39; (5)ACD/BCF (pH 5.5): 1281.45; (6)ACD/BCF (pH 7.4): 1281.45; (7)ACD/KOC (pH 5.5): 5835.69; (8)ACD/KOC (pH 7.4): 5835.69; (9)#Freely Rotating Bonds: 1.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(cc1)S(F)(F)(F)(F)F
(2)InChI: InChI=1S/C6H4F5IS/c7-13(8,9,10,11)6-3-1-5(12)2-4-6/h1-4H
(3)InChIKey: FRYANWYSCROOCU-UHFFFAOYSA-N

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