Anthracene
Anthracene is a solid polycyclic aromatic hydrocarbon (PAH) of formula C14H10, consisting of three fused benzene rings. It is a component of coal tar. Anthracene is used in the production of the red dye alizarin and other dyes. Anthracene is colorless but exhibits a blue (400–500 nm peak) fluorescence under ultraviolet radiation.
| Names | |
|---|---|
| IUPAC name
Anthracene | |
| Identifiers | |
3D model (JSmol) |
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| 1905429 | |
| ChEBI | |
| ChEMBL | |
| ChemSpider | |
| DrugBank | |
| ECHA InfoCard | 100.003.974 |
| EC Number |
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| 67837 | |
| KEGG | |
PubChem CID |
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| RTECS number |
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| UNII | |
CompTox Dashboard (EPA) |
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SMILES
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| Properties | |
| C14H10 | |
| Molar mass | 178.234 g·mol−1 |
| Appearance | Colorless |
| Odor | Weak aromatic |
| Density | 1.28 g/cm3 (25 °C) 0.969 g/cm3 (220 °C) |
| Melting point | 216 °C (421 °F; 489 K) at 760 mmHg |
| Boiling point | 341.3 °C (646.3 °F; 614.5 K) at 760 mmHg |
| 0.022 mg/L (0 °C) 0.044 mg/L (25 °C) 0.29 mg/L (50 °C) 0.00045% w/w (100 °C, 3.9 MPa) | |
| Solubility | Soluble in alcohol, (C2H5)2O, acetone, C6H6, CHCl3, CS2 |
| Solubility in ethanol | 0.76 g/kg (16 °C) 19 g/kg (19.5 °C) 3.28 g/kg (25 °C) |
| Solubility in methanol | 18 g/kg (19.5 °C) |
| Solubility in hexane | 3.7 g/kg |
| Solubility in toluene | 9.2 g/kg (16.5 °C) 129.4 g/kg (100 °C) |
| Solubility in carbon tetrachloride | 7.32 g/kg |
| log P | 4.56 |
| Vapor pressure | 0.01 kPa (125.9 °C) 0.1 kPa (151.5 °C) 13.4 kPa (250 °C) |
Henry's law constant (kH) |
0.0396 L·atm/mol |
| UV-vis (λmax) | 345.6 nm, 363.2 nm |
Magnetic susceptibility (χ) |
−129.8×10−6 cm3/mol |
| Thermal conductivity | 0.1416 W/(m·K) (240 °C) 0.1334 W/(m·K) (270 °C) 0.1259 W/(m·K) (300 °C) |
| Viscosity | 0.602 cP (240 °C) 0.498 cP (270 °C) 0.429 cP (300 °C) |
| Structure | |
| Monoclinic (290 K) | |
Space group |
P21/b |
Point group |
D5 2h |
a = 8.562 Å, b = 6.038 Å, c = 11.184 Å α = 90°, β = 124.7°, γ = 90° | |
| Thermochemistry | |
Heat capacity (C) |
210.5 J/(mol·K) |
Std molar entropy (S⦵298) |
207.5 J/(mol·K) |
Std enthalpy of formation (ΔfH⦵298) |
129.2 kJ/mol |
Std enthalpy of combustion (ΔcH⦵298) |
7061 kJ/mol |
| Hazards | |
| GHS labelling: | |
| Warning | |
| H302, H305, H315, H319, H335, H410 | |
| P261, P273, P305+P351+P338, P501 | |
| NFPA 704 (fire diamond) |
1
1
0 |
| Flash point | 121 °C (250 °F; 394 K) |
| 540 °C (1,004 °F; 813 K) | |
| Lethal dose or concentration (LD, LC): | |
LD50 (median dose) |
100-149 mg/kg (rats, oral) |
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Infobox references | |
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