CAS No.392-57-4,1,4-DIIODOTETRAFLUOROBENZENE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	392-57-4
Name:	1,4-DIIODOTETRAFLUOROBENZENE
Article Data:	9

Formula:	C₆F₄I₂
Molecular Weight:	401.869
Synonyms:	Benzene,tetrafluoro-1,4-diiodo- (6CI,8CI);1,2,4,5-Tetrafluoro-3,6-diiodobenzene;1,4-Diiodo-2,3,5,6-tetrafluorobenzene;1,4-Diiodotetrafluorobenzene;3,6-Diiodo-1,2,4,5-tetrafluorobenzene;Tetrafluoro-1,4-diiodobenzene;p-Diiodoperfluorobenzene;
EINECS:	206-877-8
Density:	2.672 g/cm³
Melting Point:	108-110 °C
Boiling Point:	252.419 °C at 760 mmHg
Flash Point:	101.827 °C
Appearance:	WHITE POWDER, CRYSTALS OR CRYSTALLINE POWDER
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22-36/37/39-26
PSA:	0.00000
LogP:	3.45220

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Specification

The Benzene,1,2,4,5-tetrafluoro-3,6-diiodo- is an organic compound with the formula C₆F₄I₂. The IUPAC name of this chemical is 1,2,4,5-tetrafluoro-3,6-diiodobenzene. With the CAS registry number 392-57-4, it is also named as 1,4-Diiodotetrafluorobenzene. The product's categories are Aryl; C6; Halogenated Hydrocarbons. Besides, it should be stored in a closed cool and dry place.

Physical properties about Benzene,1,2,4,5-tetrafluoro-3,6-diiodo- are: (1)ACD/LogP: 7.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.682; (4)ACD/LogD (pH 7.4): 7.682; (5)ACD/BCF (pH 5.5): 406148.219; (6)ACD/BCF (pH 7.4): 406148.219; (7)ACD/KOC (pH 5.5): 359972.375; (8)ACD/KOC (pH 7.4): 359972.375; (9)Index of Refraction: 1.608; (10)Molar Refractivity: 52.042 cm³; (11)Molar Volume: 150.418 cm³; (12)Polarizability: 20.631×10^-24cm³; (13)Surface Tension: 43.813 dyne/cm; (14)Density: 2.672 g/cm³; (15)Flash Point: 101.827 °C; (16)Enthalpy of Vaporization: 46.996 kJ/mol; (17)Boiling Point: 252.419 °C at 760 mmHg; (18)Vapour Pressure: 0.031 mmHg at 25°C.

Preparation: this chemical can be prepared by 1,2,4,5-tetrafluoro-benzene. This reaction will need reagent fuming sulfuric acid and iodine.

Uses of Benzene,1,2,4,5-tetrafluoro-3,6-diiodo-: it can be used to produce 1,2,4,5-tetrafluoro-benzene at temperature of 20 °C. This reaction is a kind of protodeiodination. It will need reagent P(NEt₂)₃ and H₂O and solvent dimethylformamide with reaction time of 15 min. The yield is about 72%.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection and do not breathe dust.

You can still convert the following datas into molecular structure:
(1)SMILES: c1(c(c(c(c(c1I)F)F)I)F)F
(2)InChI: InChI=1/C6F4I2/c7-1-2(8)6(12)4(10)3(9)5(1)11
(3)InChIKey: VIXRAZODEODOJF-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C6F4I2/c7-1-2(8)6(12)4(10)3(9)5(1)11
(5)Std. InChIKey: VIXRAZODEODOJF-UHFFFAOYSA-N