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| CAS No.: | 13127-50-9 |
|---|---|
| Name: | 11-Methyl-11H-benzo[a]carbazole |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C17H13 N |
| Molecular Weight: | 231.297 |
| Synonyms: | 9-Methyl-1:2-benzocarbazole; |
| Density: | 1.14g/cm3 |
| Boiling Point: | 437.8°C at 760 mmHg |
| Flash Point: | 218.6°C |
| Safety: | Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx. |
| PSA: | 4.93000 |
| LogP: | 4.48470 |
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Chemistry
Molecular Formula: C17H13N
Molecular Weight: 231.291820 g/molThe Molecular Structure of 9-Methyl-1:2-benzocarbazole (CAS NO.13127-50-9):
IUPAC: 11-methylbenzo[a]carbazole
Classification: Tumor data
Nominal Mass: 231 Da
Average Mass: 231.2918 Da
Monoisotopic Mass: 231.104799 Da
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 5.22
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 5.5): 5466.77
ACD/BCF (pH 7.4): 5466.77
ACD/KOC (pH 5.5): 16483.89
ACD/KOC (pH 7.4): 16483.89
Polar Surface Area: 4.93Å2
Index of Refraction: 1.658
Molar Refractivity: 74.46 cm3
Molar Volume: 202.1 cm3
Surface Tension: 43.1 dyne/cm
Density: 1.14 g/cm3
Flash Point: 218.6 °C
Enthalpy of Vaporization: 69.45 kJ/mol
Boiling Point: 437.8 °C at 760 mmHg
Vapour Pressure: 7.25E-08 mmHg at 25°C
InChI: InChI=1/C17H13N/c1-18-16-9-5-4-8-14(16)15-11-10-12-6-2-3-7-13(12)17(15)18/h2-11H,1H3
Smiles: n1(c2c(ccc3c2cccc3)c2c1cccc2)C
Safety Profile
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
Specification
9-Methyl-1:2-benzocarbazole (CAS NO.13127-50-9) is also called as 11-Methyl-11H-benzo(a)carbazole ; 5-20-08-00457 (Beilstein Handbook Reference) ; BRN 0180109 ; 11H-Benzo(a)carbazole, 11-methyl- .