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Cas Database |
| Name |
(+,-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene |
EINECS | N/A |
| CAS No. | 61443-57-0 | Density | 1.46g/cm3 |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C20H14O2 | Boiling Point | 553.3°Cat760mmHg |
| Molecular Weight | 286.34 | Flash Point | 268.6°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Questionable carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data by skin contact. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Article Data | 8 |
(+,-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene Chemical Properties
Molecular Structure of (+,-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene (CAS NO. 61443-57-0):
IUPAC Name: (7S,8S)-7,8-Dihydrobenzo[a]pyrene-7,8-diol
Molecular Formula: C20H14O2
Molecular Weight: 286.323960 g/mol
XLogP3-AA: 3.9
H-Bond Donor: 2
H-Bond Acceptor: 2
Canonical SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(C5O)O)C=C2
Isomeric SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=C[C@@H]([C@H]5O)O)C=C2
InChI: InChI=1S/C20H14O2/c21-17-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-16(14)20(17)22/h1-10,17,20-22H/t17-,20-/m0/s1
InChIKey: YDXRLMMGARHIIC-PXNSSMCTSA-N
Index of Refraction: 1.911
Molar Refractivity: 92.03 cm3
Molar Volume: 196 cm3
Surface Tension: 76.9 dyne/cm
Density: 1.46 g/cm3
Flash Point: 268.6 °C
Enthalpy of Vaporization: 87.77 kJ/mol
Boiling Point: 553.3 °C at 760 mmHg
Vapour Pressure of (+,-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene (CAS NO. 61443-57-0): 4.47E-13 mmHg at 25 °C
(+,-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene Toxicity Data With Reference
| 1. | dnd-rat:lvr 20 µmol/L | CRNGDP Carcinogenesis. 3 (1982),861. | ||
| 2. | msc-mus:fbr 200 nmol/L | CNREA8 Cancer Research. 42 (1982),1866. |
(+,-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene Consensus Reports
EPA Genetic Toxicology Program.
(+,-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene Safety Profile
Questionable carcinogen with experimental carcinogenic, neoplastigenic, and tumorigenic data by skin contact. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
(+,-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene Specification
(+,-)-trans-7,8-Dihydroxy-7,8-dihydrobenzo(a)pyrene with cas registry number of 61443-57-0 is also called for (+-)-trans-BP 7,8-dihydrodiol ; (+/-)-Benzo(a)pyrene-7,8-dihydrodiol ; (+/-)-trans-7,8-Dihydrobenzo(a)pyrene-7,8-diol ; (+-)-trans-7,8-Dihydrobenzo(a)pyrene-7,8-diol ; (+/-)-trans-7,8-Dihydroxy-7,8-dihyrobenzo(a)pyrene ; CCRIS 77 ; Benzo(a)pyrene, 7,8-dihydro-7,8-dihydroxy-, (+-)-trans- ; Benzo(a)pyrene-7,8-diol, 7,8-dihydro-, (7R,8R)-rel- .
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