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1,3,6,8-Tetrabromopyrene

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Name

1,3,6,8-Tetrabromopyrene

EINECS 204-900-6
CAS No. 128-63-2 Density 2.284 g/cm3
PSA 0.00000 LogP 7.63400
Solubility N/A Melting Point 416-420 °C
Formula C16H6Br4 Boiling Point 548.218 °C at 760 mmHg
Molecular Weight 517.84 Flash Point 273.884 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 128-63-2 (1,3,6,8-Tetrabromopyrene) Hazard Symbols IrritantXi
Synonyms

Pyrene,1,3,6,8-tetrabromo-;

Article Data 70

1,3,6,8-Tetrabromopyrene Specification

1,3,6,8-Tetrabromopyrene is an organic compound with the formula C16H6Br4, and its systematic name is the same with the product name. With the CAS registry number 128-63-2, it is also named as Pyrene,1,3,6,8-tetrabromo-. In addition, the molecular weight is 517.83.

Physical properties of 1,3,6,8-Tetrabromopyrene are: (1)ACD/LogP: 8.894; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 8.89; (4)ACD/LogD (pH 7.4): 8.89; (5)ACD/BCF (pH 5.5): 1000000.00; (6)ACD/BCF (pH 7.4): 1000000.00; (7)ACD/KOC (pH 5.5): 1642501.00; (8)ACD/KOC (pH 7.4): 1642501.00; (9)Index of Refraction: 1.873; (10)Molar Refractivity: 103.225 cm3; (11)Molar Volume: 226.717 cm3; (12)Polarizability: 40.922×10-24cm3; (13)Surface Tension: 68.26 dyne/cm; (14)Density: 2.284 g/cm3; (15)Flash Point: 273.884 °C; (16)Enthalpy of Vaporization: 79.68 kJ/mol; (17)Boiling Point: 548.218 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemcial 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.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc4cc(Br)c2ccc1c(Br)cc(Br)c3c1c2c4cc3
(2)Std. InChI: InChI=1S/C16H6Br4/c17-11-5-13(19)9-3-4-10-14(20)6-12(18)8-2-1-7(11)15(9)16(8)10/h1-6H
(3)Std. InChIKey: ZKBKRTZIYOKNRG-UHFFFAOYSA-N

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