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Basic Information
CAS No.: 517-51-1
Name: Rubrene
Molecular Structure:
Molecular Structure of 517-51-1 (Rubrene)
Formula: C42H28
Molecular Weight: 532.684
Synonyms: 5,6,11,12-Tetraphenylnaphthacene;5,6,11,12-Tetraphenyltetracene;Rubren;
EINECS: 208-242-0
Density: 1.176 g/cm3
Melting Point: >315 °C(lit.)
Boiling Point: 649 °C at 760 mmHg
Flash Point: 351.6 °C
Solubility: Soluble in hot toluene. Insoluble in water.
Appearance: red crystalline powder
Safety: 22-24/25
PSA: 0.00000
LogP: 11.81420
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Conditions
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propionic acid-(triphenyl-prop-2-ynyl ester)

517-51-1

5,6,11,12-tetraphenylnaphthacene

Conditions
ConditionsYield
beim Erhitzen;

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Conditions
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Conditions
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With tetrahydrofuran; phenylmagnesium bromide anschliessendes Behandeln mit wss. HCl;
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127257-80-1
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    Rubrene cas no. 517-51-1 98%

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Chemistry

Molecular Structure of Rubrene (CAS NO.517-51-1):

IUPAC Name: 5,6,11,12-tetraphenyltetracene
CAS: 517-51-1
Molecular Formula: C42H28
Molecular Weight: 532.67
EINECS: 208-242-0
Melting point: >315 °C(lit.)
Form: powder
Index of Refraction: 1.716
Molar Refractivity: 178.14 cm3
Molar Volume: 452.9 cm3
Polarizability: 70.62 10-24cm3
Surface Tension: 51.3 dyne/cm
Density: 1.176 g/cm3
Flash Point: 351.6 °C
Enthalpy of Vaporization: 92.21 kJ/mol
Boiling Point: 649 °C at 760 mmHg
Vapour Pressure: 5.14E-16 mmHg at 25°C
InChI
InChI=1/C42H28/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30/h1-28H
Smiles
c12c(c(c3c(cccc3)c1c1ccccc1)c1ccccc1)c(c1ccccc1)c1c(cccc1)c2c1ccccc1
Product Categories: Organics; Electronic Chemicals; Electroluminescence; Functional Materials; Highly Purified Reagents; Other Categories; Refined Products by Sublimation; Dark red crystal

Uses

 Rubrene (CAS NO.517-51-1) is mainly used as organic reagents and pharmaceutical intermediates.

Safety Profile

Safety Statements: 22-24/25
S22:Do not breathe dust. 
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3
F: 10-23

Specification

 Rubrene (CAS NO.517-51-1) is also named as 5,6,11,12-Tetraphenylnaphthacene;rubrene ; 5,6,11,12-tetraphenyl-naphthacen ; 5,6,11,12-tetraphenyl-naphthacene,(rubrene) ; 5,6,11,12-Tetraphenyltetracene ; Naphthacene, 5,6,11,12-tetraphenyl- ; naphthacene,5,6,11,12-tetraphenyl- and so on. It is a red crystalline powder.