CAS No.128-63-2,1,3,6,8-Tetrabromopyrene Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	128-63-2
Name:	1,3,6,8-Tetrabromopyrene
Article Data:	70

Formula:	C₁₆H₆Br₄
Molecular Weight:	517.84
Synonyms:	Pyrene,1,3,6,8-tetrabromo-;
EINECS:	204-900-6
Density:	2.284 g/cm³
Melting Point:	416-420 °C
Boiling Point:	548.218 °C at 760 mmHg
Flash Point:	273.884 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26
PSA:	0.00000
LogP:	7.63400

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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