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Cas Database |
| Name |
Dibenz(a,h)anthracen-5-ol |
EINECS | N/A |
| CAS No. | 4002-76-0 | Density | 1.312g/cm3 |
| PSA | 20.23000 | LogP | 6.00500 |
| Solubility | N/A | Melting Point |
263.5°C |
| Formula | C22H14O | Boiling Point | 581.7°Cat760mmHg |
| Molecular Weight | 294.36 | Flash Point | 276°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also ANTHRACENE. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
5-(oder 6-)Hydroxy-dibenz- |
Article Data | 7 |
Dibenz(a,h)anthracen-5-ol Chemical Properties
Molecule structure of Dibenz(a,h)anthracen-5-ol (CAS NO.4002-76-0):
IUPAC Name: Naphtho[1,2-b]phenanthren-12-ol
Molecular Weight: 294.34596 g/mol
Molecular Formula: C22H14O
Density: 1.312 g/cm3
Boiling Point: 581.7 °C at 760 mmHg
Flash Point: 276 °C
Index of Refraction: 1.841
Molar Refractivity: 99.5 cm3
Molar Volume: 224.3 cm3
Polarizability: 39.44×10-24 cm3
Surface Tension: 65.2 dyne/cm
Enthalpy of Vaporization: 90.2 kJ/mol
Vapour Pressure: 3.96E-14 mmHg at 25 °C
XLogP3: 6.6
H-Bond Donor: 1
H-Bond Acceptor: 1
Tautomer Count: 2
Exact Mass: 294.104465
MonoIsotopic Mass: 294.104465
Topological Polar Surface Area: 20.2
Heavy Atom Count: 23
Complexity: 432
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C=C32)C=C(C5=CC=CC=C54)O
InChI: InChI=1S/C22H14O/c23-22-13-16-12-20-15(10-9-14-5-1-2-6-17(14)20)11-21(16)18-7-3-4-8-19(18)22/h1-13,23H
InChIKey of Dibenz(a,h)anthracen-5-ol (CAS NO.4002-76-0): BBWOMDVXOOZFBE-UHFFFAOYSA-N
Dibenz(a,h)anthracen-5-ol Toxicity Data With Reference
| 1. | mma-sat 3800 ng/plate | MUREAV Mutation Research. 96 (1982),1. | ||
| 2. | dnd-mus:oth 1 mg/L | CBINA8 Chemico-Biological Interactions. 4 (1971/72),389. | ||
| 3. | otr-ham:emb 1 mg/L | CNREA8 Cancer Research. 32 (1972),1391. | ||
| 4. | dnd-ham:kdy 5 mg/L | BCPCA6 Biochemical Pharmacology. 20 (1971),1297. | ||
| 5. | dnd-ham:lng 1 mg/L | CBINA8 Chemico-Biological Interactions. 4 (1971/72),389. |
Dibenz(a,h)anthracen-5-ol Consensus Reports
EPA Genetic Toxicology Program.
Dibenz(a,h)anthracen-5-ol Safety Profile
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes. See also ANTHRACENE.
Dibenz(a,h)anthracen-5-ol Specification
Dibenz(a,h)anthracen-5-ol (CAS NO.4002-76-0) is also named as 4-06-00-05139 (Beilstein Handbook Reference) ; 5-Hydroxy-dibenz(a,h)anthracene ; BRN 2287040 ; CCRIS 1075 ; 5-Hydroxydibenz(a,h)anthracene .
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