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| CAS No.: | 86541-62-0 |
|---|---|
| Name: | 1a,2,3,13c-tetrahydrobenzo[8,9]tetrapheno[1,2-b]oxirene-2,3-diol |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C22H16O3 |
| Molecular Weight: | 328.367 |
| Density: | 1.476g/cm3 |
| Boiling Point: | 645.3°Cat760mmHg |
| Flash Point: | 344.1°C |
| Safety: | Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors. |
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Chemistry
Product Name: Naphtho(2',1':6,7)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,13c-tetrahydro- (CAS NO.86541-62-0)
Molecular Formula: C22H16O3
Molecular Weight: 328.38g/mol
Mol File: 86541-62-0.mol
Boiling point: 645.3 °C at 760 mmHg
Flash Point: 344.1 °C
Density: 1.476 g/cm3
Surface Tension: 73.7 dyne/cm
Enthalpy of Vaporization: 100.04 kJ/mol
Vapour Pressure: 1.56E-17 mmHg at 25°C
XLogP3-AA: 3.5
H-Bond Donor: 2
H-Bond Acceptor: 3
Structure Descriptors of Naphtho(2',1':6,7)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,13c-tetrahydro- (CAS NO.86541-62-0):
Canonical SMILES: C1=CC=C2C(=C1)C=CC3=C2C=C4C=CC5=C(C4=C3)C6C(O6)C(C5O)O
InChI: InChI=1S/C22H16O3/c23-19-15-8-7-13-9-16-12(6-5-11-3-1-2-4-14(11)16)10-17(13)18(15)21-22(25-21)20(19)24/h1-10,19-24H
InChIKey: LRZSCFUXPBRQLT-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | mor-mus-emb 100 µg/L | CRNGDP Carcinogenesis. 15 (1994),2225. | ||
| 2. | add-mus-emb 1 mg/L | CRNGDP Carcinogenesis. 15 (1994),2225. |
Safety Profile
Mutation data reported. When heated to decomposition it emits acrid smoke and irritating vapors.
Specification
Naphtho(2',1':6,7)phenanthro(3,4-b)oxirene-2,3-diol, 1a,2,3,13c-tetrahydro- ,its CAS NO. is 86541-62-0,the synonyms is 1a,2,3,13c-Tetrahydro-naphtho(2',1':6,7)phenanthro(3,4-b)oxirene-2,3-diol ; 3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrodibenz(a,h)anthracene ; BRN 4715637 ; c-3,t-4-Dihydroxy-r-1,2-epoxy-1,2,3,4-tetrahydrodibenz(a,h)anthracene .