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| CAS No.: | 73771-73-0 |
|---|---|
| Name: | 6-Fluoro-3-methyl-1,2-dihydrobenz[j]aceanthrylene |
| Molecular Structure: | |
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| Formula: | C21H15F |
| Molecular Weight: | 286.36 |
| Synonyms: | Cholanthrene,6-fluoro-3-methyl;Benz(j)aceanthrylene,1,2-dihydro-6-fluoro-3-methyl;6-Fluoro-3-methylcholanthrene; |
| Density: | 1.28g/cm3 |
| Boiling Point: | 509.1°C at 760 mmHg |
| Flash Point: | 227°C |
| Safety: | Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of F−. |
| PSA: | 0.00000 |
| LogP: | 5.69230 |
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Chemistry
IUPAC Name: 6-fluoro-3-methyl-1,2-dihydrobenzo[j]aceanthrylene
Empirical Formula: C21H15F
Molecular Weight: 286.3422g/mol
Structure of 6-Fluoro-3-methylcholanthrene (CAS NO.73771-73-0):
Index of Refraction: 1.761
Molar Refractivity: 92.16 cm3
Molar Volume: 223.6 cm3
Polarizability: 36.53×10-24cm3
Surface Tension: 55.2 dyne/cm
Density: 1.28 g/cm3
Flash Point: 227 °C
Enthalpy of Vaporization: 75.01 kJ/mol
Boiling Point: 509.1 °C at 760 mmHg
Vapour Pressure: 5.56E-10 mmHg at 25°C
Classification Code: Tumor data
Canonical SMILES: CC1=C2CCC3=C2C(=C(C4=C3C=CC5=CC=CC=C54)F)C=C1
InChI: InChI=1S/C21H15F/c1-12-6-8-18-19-14(12)10-11-16(19)17-9-7-13-4-2-3-5-15(13)20(17)21(18)22/h2-9H,10-11H2,1H3
InChIKey: PYGFTQSWNOAFAN-UHFFFAOYSA-N
Safety Profile
Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of F−.
Specification
6-Fluoro-3-methylcholanthrene , its cas register number is 73771-73-0. It also can be called Benz(j)aceanthrylene, 1,2-dihydro-6-fluoro-3-methyl- ; Cholanthrene, 6-fluoro-3-methyl- . When 6-Fluoro-3-methylcholanthrene (CAS NO.73771-73-0) is heated to decomposition, it emits toxic fumes of F−.