CAS No.207981-49-5,2,3,5,6-TETRAFLUOROPHENYL ISOTHIOCYANATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	207981-49-5
Name:	2,3,5,6-TETRAFLUOROPHENYL ISOTHIOCYANATE

Formula:	C₇HF₄NS
Molecular Weight:	207.15
Synonyms:	2,3,5,6-Tetrafluorophenylisothiocyanate;1,2,4,5-Tetrafluoro-3-isothiocyanatobenzene;
EINECS:	-0
Density:	1.46 g/cm³
Boiling Point:	228.1 °C at 760 mmHg
Flash Point:	91.8 °C
Hazard Symbols:	Xi
Risk Codes:	20/21/22-36/37/38
Safety:	26-36/37/39
PSA:	44.45000
LogP:	2.97730

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Specification

The Benzene,1,2,4,5-tetrafluoro-3-isothiocyanato-, with the CAS registry number 3207981-49-5, is also known as 2,3,5,6-Tetrafluorophenylisothiocyanate. It belongs to the product categories of Isothiocyanate; Phenyl Isocyanate & Phenyl Isothiocyanate. This chemical's molecular formula is C₇HF₄NS and molecular weight is 207.15. What's more, its systematic name is 1,2,4,5-tetrafluoro-3-isothiocyanatobenzene.

Physical properties of Benzene,1,2,4,5-tetrafluoro-3-isothiocyanato- are: (1)ACD/LogP: 3.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.61; (4)ACD/LogD (pH 7.4): 3.61; (5)ACD/BCF (pH 5.5): 325.6; (6)ACD/BCF (pH 7.4): 325.6; (7)ACD/KOC (pH 5.5): 2188.67; (8)ACD/KOC (pH 7.4): 2188.67; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 44.45 Å²; (13)Index of Refraction: 1.506; (14)Molar Refractivity: 42.11 cm³; (15)Molar Volume: 141.7 cm³; (16)Polarizability: 16.69×10^-24cm³; (17)Surface Tension: 25.6 dyne/cm; (18)Density: 1.46 g/cm³; (19)Flash Point: 91.8 °C; (20)Enthalpy of Vaporization: 44.58 kJ/mol; (21)Boiling Point: 228.1 °C at 760 mmHg; (22)Vapour Pressure: 0.113 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. What's more, the product 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(/N=C=S)c(F)c(F)cc1F
(2)Std. InChI: InChI=1S/C7HF4NS/c8-3-1-4(9)6(11)7(5(3)10)12-2-13/h1H
(3)Std. InChIKey: QUNNLKBODYSOQL-UHFFFAOYSA-N