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Cas Database |
| Name |
Dibenz(a,h)acridine 3,4-diol-1,2-epoxide |
EINECS | N/A |
| CAS No. | 125276-72-4 | Density | N/A |
| PSA | N/A | LogP | N/A |
| Solubility | N/A | Melting Point |
N/A |
| Formula | N/A | Boiling Point | N/A |
| Molecular Weight | 329.355 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
N/A |
Article Data | 1 |
Dibenz(a,h)acridine 3,4-diol-1,2-epoxide Chemical Properties
Molecule structure of Dibenz(a,h)acridine 3,4-diol-1,2-epoxide (CAS NO.125276-72-4):
Molecular Weight: 329.3487 g/mol
Molecular Formula: C21H15NO3
Density: 1.527 g/cm3
Boiling Point: 657.7 °C at 760 mmHg
Flash Point: 351.5 °C
Index of Refraction: 1.864
Molar Refractivity: 97.49 cm3
Molar Volume: 215.6 cm3
Polarizability: 38.65×10-24 cm3
Surface Tension: 80.5 dyne/cm
Enthalpy of Vaporization: 101.73 kJ/mol
Vapour Pressure: 3.42E-18 mmHg at 25 °C
XLogP3-AA: 2.6
H-Bond Donor: 2
H-Bond Acceptor: 4
Exact Mass: 329.105193
MonoIsotopic Mass: 329.105193
Topological Polar Surface Area: 65.9
Heavy Atom Count: 25
Complexity: 541
Defined Atom StereoCenter Count: 4
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=C4C6C(O6)C(C5O)O)N=C32
Isomeric SMILES: C1=CC=C2C(=C1)C=CC3=CC4=C(C=CC5=C4[C@@H]6[C@@H](O6)[C@H]([C@@H]5O)O)N=C32
InChI: InChI=1S/C21H15NO3/c23-18-13-7-8-15-14(16(13)20-21(25-20)19(18)24)9-11-6-5-10-3-1-2-4-12(10)17(11)22-15/h1-9,18-21,23-24H/t18-,19+,20-,21+/m1/s1
InChIKey of Dibenz(a,h)acridine 3,4-diol-1,2-epoxide (CAS NO.125276-72-4): XPMBTWVVTCOLCP-MHTWAQMVSA-N
Dibenz(a,h)acridine 3,4-diol-1,2-epoxide Toxicity Data With Reference
| 1. | mic-sat 500 nmol/L | CNREA8 Cancer Research. 49 (1989),6981. |
Dibenz(a,h)acridine 3,4-diol-1,2-epoxide Safety Profile
Questionable carcinogen with experimental carcinogenic data reported. Mutation data reported. When heated to decomposition it emits toxic vapors of NOx.
Dibenz(a,h)acridine 3,4-diol-1,2-epoxide Specification
Dibenz(a,h)acridine 3,4-diol-1,2-epoxide (CAS NO.125276-72-4) is also named as ( /-)-anti-Dibenz(a,h)acridine 3,4-diol-1,2-epoxide ; Benz(h)oxireno(5,6)benz(1,2-a)acridine-2,3-diol, 1a,2,3,13c-tetrahydro-, (1a-alpha,2-beta,3-alpha,13c-alpha)-(+-)- .
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