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| CAS No.: | 21243-26-5 |
|---|---|
| Name: | 6,11-Dihydro-4-fluoro[1]benzothiopyrano[4,3-b]indole |
| Molecular Structure: | |
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| Formula: | C15H10FNS |
| Molecular Weight: | 255.32 |
| Synonyms: | 4-Fluor-6,11-dihydro<1>benzothiopyrano<4,3-b>indol; |
| Density: | 1.401g/cm3 |
| Boiling Point: | 471.2°Cat760mmHg |
| Flash Point: | 238.8°C |
| Safety: | Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of F−, SOx, and NOx. |
| PSA: | 41.09000 |
| LogP: | 4.57970 |
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Chemistry
IUPAC Name: 4-fluoro-6,11-dihydrothiochromeno[4,3-b]indole
Empirical Formula: C15H10FNS
Molecular Weight: 255.31g/mol
Structure of 6,11-Dihydro-4-fluoro-(1)Benzothiopyrano(4,3-b)indole (CAS NO.21243-26-5):
Index of Refraction: 1.749
Molar Refractivity: 74.22 cm3
Molar Volume: 182.1 cm3
Polarizability: 29.42×10-24cm3
Surface Tension: 62.7 dyne/cm
Density: 1.401 g/cm3
Flash Point: 238.8 °C
Enthalpy of Vaporization: 70.59 kJ/mol
Boiling Point: 471.2 °C at 760 mmHg
Vapour Pressure: 1.34E-08 mmHg at 25°C
Classification Code: Mutation data, Tumor data
Canonical SMILES: C1C2=C(C3=C(S1)C(=CC=C3)F)NC4=CC=CC=C24
InChI: InChI=1S/C15H10FNS/c16-12-6-3-5-10-14-11(8-18-15(10)12)9-4-1-2-7-13(9)17-14/h1-7,17H,8H2
InChIKey: FIQRCCCMHORHOZ-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | mma-sat 90 µg/plate | MUREAV Mutation Research. 66 (1979),307. |
Safety Profile
Questionable carcinogen with experimental neoplastigenic data. Mutation data reported. When heated to decomposition it emits very toxic fumes of F−, SOx, and NOx.
Specification
6,11-Dihydro-4-fluoro-(1)Benzothiopyrano(4,3-b)indole , its cas register number is 21243-26-5. It also can be called BRN 1582683 ; Thiopyrano(4,3-b)benz(e)indole, 6,11-dihydro-4-fluoro- ; (1)Benzothiopyrano(4,3-b)indole, 6,11-dihydro-4-fluoro- .When 6,11-Dihydro-4-fluoro-(1)Benzothiopyrano(4,3-b)indole (CAS NO.21243-26-5) is heated to decomposition, it emits very toxic fumes of F−, SOx, and NOx.