CAS No.1559-88-2,1-Bromo-2,3,5,6-tetrafluorobenzene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1559-88-2
Name:	1-Bromo-2,3,5,6-tetrafluorobenzene
Article Data:	20

Formula:	C₆HBrF₄
Molecular Weight:	228.972
Synonyms:	2,3,5,6-Tetrafluorobromobenzene;3-Bromo-1,2,4,5-tetrafluorobenzene;
EINECS:	216-327-9
Density:	1.869 g/cm³
Boiling Point:	146 °C at 760 mmHg
Flash Point:	53.9 °C
Solubility:	Not miscible or difficult to mix in water.
Appearance:	clear colorless liquid
Hazard Symbols:	Xi, Xn
Risk Codes:	10-36/37/38
Safety:	16-26-36/37/39
Transport Information:	UN 1993 3/PG 3
PSA:	0.00000
LogP:	3.00550

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Specification

The Benzene,3-bromo-1,2,4,5-tetrafluoro-, with the CAS registry number 1559-88-2, is also known as 1-Bromo-2,3,5,6-tetrafluorobenzene. It belongs to the product categories of Benzene series; Aryl; C₆; Halogenated Hydrocarbons. Its EINECS number is 216-327-9. This chemical's molecular formula is C₆HBrF₄ and formula weight is 228.97. What's more, its IUPAC name is 3-bromo-1,2,4,5-tetrafluorobenzene.

Physical properties of Benzene,3-bromo-1,2,4,5-tetrafluoro- are: (1)ACD/LogP: 3.03; (2)ACD/LogD (pH 5.5): 3.03; (3)ACD/BCF (pH 5.5): 119; (4)ACD/KOC (pH 5.5): 1064.85; (5)Index of Refraction: 1.466; (6)Molar Refractivity: 33.91 cm³; (7)Molar Volume: 122.4 cm³; (8)Polarizability: 13.44×10^-24cm³; (9)Surface Tension: 29.8 dyne/cm; (10)Density: 1.869 g/cm³; (11)Flash Point: 53.9 °C; (12)Enthalpy of Vaporization: 36.72 kJ/mol; (13)Boiling Point: 146 °C at 760 mmHg; (14)Vapour Pressure: 5.98 mmHg at 25°C.

Uses of Benzene,3-bromo-1,2,4,5-tetrafluoro-: it can be used to produce 1,2,4,5-tetrafluoro-3-hept-1-ynyl-benzene at the temperature of 95°C. It will need reagent Pd(PPh₃)₄, CuI, diisopropylamine and solvent toluene with the reaction time of 10 hours. The yield is about 77%.

When you are using this chemical, please be cautious about it as the following:
It is flammable and irritating to eyes, respiratory system and skin. You should keep this chemical away from sources of ignition - No smoking. In case of contact with eyes, you need rinse immediately with plenty of water and seek medical advice. When using it, you should wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC1=C(C=C(C=C1)CCl)F
(2)InChI: InChI=1S/C8H8ClFO/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,5H2,1H3
(3)InChIKey: DDAXEANMRGIVDY-UHFFFAOYSA-N