- Benzo(e)(1)benzothiopyrano(4,3b)-indole
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| Name |
Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-fluoro- |
EINECS | N/A |
| CAS No. | 52831-55-7 | Density | 1.411g/cm3 |
| PSA | 41.09000 | LogP | 5.73290 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C19H12FNS | Boiling Point | 569°Cat760mmHg |
| Molecular Weight | 305.38 | Flash Point | 297.9°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of F−, NOx, and SOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
6,13-Dihydro-3-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole;Benzo(e)(1)benzothiopyrano(4,3-b)indole,6,13-dihydro-3-fluoro; |
Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-fluoro- Chemical Properties
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Systematic Name: 3-fluoro-6,13-dihydrobenzo[g]thiochromeno[4,3-b]indole
Molecular Formula: C19H12FNS
Molecular Weight: 305.368683 g/mol
Canonical SMILES: C1c2c3c([nH]c2c2ccc(cc2S1)F)c1ccccc1cc3
InChI: InChI=1/C19H12FNS/c20-12-6-8-15-17(9-12)22-10-16-14-7-5-11-3-1-2-4-13(11)18(14)21-19(15)16/h1-9,21H,10H2
XLogP3-AA: 5.1
H-Bond Donor: 1
H-Bond Acceptor: 1
Rotatable Bond Count: 0
Exact Mass: 305.067448
MonoIsotopic Mass: 305.067448
Topological Polar Surface Area: 15.8
Heavy Atom Count: 22
Complexity: 430
Classification Code: Mutation data,Tumor data
Index of Refraction: 1.795
Molar Refractivity: 92.06 cm3
Molar Volume: 216.3 cm3
Polarizability: 36.49×10-24cm3
Surface Tension: 66 dyne/cm
Density: 1.411 g/cm3
Flash Point: 297.9 °C
Enthalpy of Vaporization: 82.2 kJ/mol
Boiling Point: 569 °C at 760 mmHg
Vapour Pressure of Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-fluoro- (CAS NO.52831-55-7): 2.27E-12 mmHg at 25 °C
Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-fluoro- Toxicity Data With Reference
| 1. | mma-sat 30 µg/plate | MUREAV Mutation Research. 66 (1979),307. | ||
| 2. | scu-mus TDLo:72 mg/kg/9W-I:NEO | MUREAV Mutation Research. 66 (1979),307. |
Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-fluoro- Safety Profile
Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-fluoro- (CAS NO.52831-55-7) emits very toxic fumes of F−, NOx, and SOx.
Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-fluoro- Specification
Benzo(e)(1)benzothiopyrano(4,3-b)indole, 6,13-dihydro-3-fluoro- (CAS NO.52831-55-7), its Synonym is 6,13-Dihydro-3-fluoro-benzo(e)(1)benzothiopyrano(4,3-b)indole .
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