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| Name |
7,12-Dimethyl-5-fluorobenz(a)anthracene |
EINECS | N/A |
| CAS No. | 794-00-3 | Density | 1.2g/cm3 |
| PSA | 0.00000 | LogP | 5.90210 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C20H15F | Boiling Point | 466.4°Cat760mmHg |
| Molecular Weight | 274.338 | Flash Point | 213.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental tumorigenic data. Human mutation data reported. An initiator. When heated to decomposition it emits toxic fumes of F−. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-Fluoro-7,2-dimethylbenzanthracen;3-Fluor-9,10-dimethyl-1.2-benzanthracen; |
7,12-Dimethyl-5-fluorobenz(a)anthracene Chemical Properties
IUPAC Name: 5-Fluoro-7,12-dimethylbenzo[b]phenanthrene
Synonyms of 7,12-Dimethyl-5-fluorobenz(a)anthracene (CAS NO.794-00-3): 5-Fluoro-7,12-dimethylbenz(a)anthracene ; Benz(a)anthracene, 5-fluoro-7,12-dimethyl- (8CI)(9CI) ; Benz(a)anthracene, 7,12-dimethyl-5-fluoro-
CAS NO: 794-00-3
Molecular Formula: C20H15F
Molecular Weight: 274.3315
Molecular Structure : .png)
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 0 Å2
Index of Refraction: 1.711
Molar Refractivity: 89.42 cm3
Molar Volume: 228.5 cm3
Surface Tension: 47.8 dyne/cm
Density: 1.2 g/cm3
Flash Point: 213.3 °C
Enthalpy of Vaporization: 70.03 kJ/mol
Boiling Point: 466.4 °C at 760 mmHg
Vapour Pressure: 1.99E-08 mmHg at 25°C
InChI: InChI=1/C20H15F/c1-12-14-7-3-4-8-15(14)13(2)20-17-10-6-5-9-16(17)19(21)11-18(12)20/h3-11H,1-2H3
InChIKey: AXKHSIBLEVOWME-UHFFFAOYAU
Std. InChI: InChI=1S/C20H15F/c1-12-14-7-3-4-8-15(14)13(2)20-17-10-6-5-9-16(17)19(21)11-18(12)20/h3-11H,1-2H3
Std. InChIKey: AXKHSIBLEVOWME-UHFFFAOYSA-N
7,12-Dimethyl-5-fluorobenz(a)anthracene Toxicity Data With Reference
| 1. | dni-hmn:hla 70 µmol/L | MUREAV Mutation Research. 92 (1982),427. | ||
| 2. | scu-rat TDLo:823 mg/kg/10W-I:ETA | JMCMAR Journal of Medicinal Chemistry. 21 (1978),1076. |
7,12-Dimethyl-5-fluorobenz(a)anthracene Consensus Reports
EPA Genetic Toxicology Program.
7,12-Dimethyl-5-fluorobenz(a)anthracene Safety Profile
Questionable carcinogen with experimental tumorigenic data. Human mutation data reported. An initiator. When 7,12-Dimethyl-5-fluorobenz(a)anthracene (CAS NO.794-00-3) is heated to decomposition, it emits toxic fumes of F−.
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