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CAS No.: | 7499-32-3 |
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Name: | 9,10-Dihydro-7-methylbenzo[a]pyrene |
Molecular Structure: | |
Formula: | C21H16 |
Molecular Weight: | 268.37 |
Synonyms: | 7-methyl-9,10-dihydro-benzo[def]chrysene;1':2'-Dihydro-4'-methyl-3:4-benzpyrene;BENZO(a)PYRENE,9,10-DIHYDRO-7-METHYL;Benzo[a]pyrene, 9,10-dihydro-7-methyl-;7-Methyl-9,10-dihydro-benzo[def]chrysen;9,10-Dihydro-7-methylbenzo(a)pyrene; |
Density: | 1.219g/cm3 |
Boiling Point: | 456.4°Cat760mmHg |
Flash Point: | 223.4°C |
Safety: | Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes. |
PSA: | 0.00000 |
LogP: | 5.93350 |
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IUPAC Name of 9,10-Dihydro-7-methylbenzo(a)pyrene (CAS NO.7499-32-3) : 7-methyl-9,10-dihydrobenzo[a]pyrene
Molecular Weight: 268.35174 g/mol
Molecular Formula: C21H16
Density: 1.219 g/cm3
Boiling Point: 456.4 °C at 760 mmHg
Flash Point: 223.4 °C
Molar Volume: 220 cm3
Polarizability: 37.08*10-24 cm3
Surface Tension: 56.2 dyne/cm
Enthalpy of Vaporization: 68.89 kJ/mol
Vapour Pressure: 4.39E-08 mmHg at 25 °C
XLogP3-AA: 6
Exact Mass: 268.125201
MonoIsotopic Mass: 268.125201
Heavy Atom Count: 21
Complexity: 447
Canonical SMILES: CC1=CCCC2=C1C=C3C=CC4=C5C3=C2C=CC5=CC=C4
InChI: InChI=1S/C21H16/c1-13-4-2-7-17-18-11-10-15-6-3-5-14-8-9-16(12-19(13)17)21(18)20(14)15/h3-6,8-12H,2,7H2,1H3
InChIKey 9,10-Dihydro-7-methylbenzo(a)pyrene (CAS NO.7499-32-3) : YIXWJCYFBRJSQB-UHFFFAOYSA-N
Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits acrid smoke and irritating fumes.