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1998-58-9
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Basic Information
CAS No.: 1998-58-9
Name: 2,3,5,6-TETRAFLUORO-4-IODOPHENOL
Molecular Structure:
Molecular Structure of 1998-58-9 (2,3,5,6-TETRAFLUORO-4-IODOPHENOL)
Formula: C6HF4IO
Molecular Weight: 291.971
Synonyms: 2,3,5,6-Tetrafluoro-4-iodophenol;4-Iodo-2,3,5,6-tetrafluorophenol;p-Iodotetrafluorophenol;
Density: 2.303 g/cm3
Melting Point: 48-50 °C
Boiling Point: 220.1 °C at 760 mmHg
Flash Point: 86.9 °C
Hazard Symbols: R36/37/38:;
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 20.23000
LogP: 2.55320
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Specification

The Phenol,2,3,5,6-tetrafluoro-4-iodo-, with the CAS registry number 1998-58-9, is also known as 4-Iodo-2,3,5,6-tetrafluorophenol. This chemical's molecular formula is C6HF4IO and molecular weight is 291.97. What's more, its systematic name is 2,3,5,6-Tetrafluoro-4-iodophenol.

Physical properties of Phenol,2,3,5,6-tetrafluoro-4-iodo- are: (1)ACD/LogP: 4.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 1.7; (5)ACD/BCF (pH 5.5): 155.9; (6)ACD/BCF (pH 7.4): 2.99; (7)ACD/KOC (pH 5.5): 808.4; (8)ACD/KOC (pH 7.4): 15.48; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.56; (14)Molar Refractivity: 41.01 cm3; (15)Molar Volume: 126.7 cm3; (16)Polarizability: 16.26×10-24 cm3; (17)Surface Tension: 43.9 dyne/cm; (18)Density: 2.303 g/cm3; (19)Flash Point: 86.9 °C; (20)Enthalpy of Vaporization: 47.51 kJ/mol; (21)Boiling Point: 220.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0779 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1c(I)c(F)c(F)c(O)c1F
(2)InChI: InChI=1/C6HF4IO/c7-1-3(9)6(12)4(10)2(8)5(1)11/h12H
(3)InChIKey: RNCXHJYIEFKIJW-UHFFFAOYSA-N