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CAS No.: | 226-88-0 |
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Name: | BENZO[A]TETRACENE |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C22H14 |
Molecular Weight: | 278.353 |
Synonyms: | 1,2-Benzonaphthacene;1,2-Benzotetracene;Benzo[a]tetracene;Dibenz[a,i]anthracene;Isopentaphene; |
EINECS: | 205-932-3 |
Density: | 1.232 g/cm3 |
Melting Point: | 263.85°C |
Boiling Point: | 524.7 °C at 760 mmHg |
Flash Point: | 264.5 °C |
PSA: | 0.00000 |
LogP: | 6.29940 |
The Benzo[a]naphthacene, with the CAS registry number 226-88-0, is also known as 1,2-Benzotetracene. Its EINECS registry number is 205-932-3. This chemical's molecular formula is C22H14 and molecular weight is 278.35. Its systematic name is called benzo[a]tetracene.
Physical properties of Benzo[a]naphthacene: (1)ACD/LogP: 7.14; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.14; (4)ACD/LogD (pH 7.4): 7.14; (5)ACD/BCF (pH 5.5): 157477.3; (6)ACD/BCF (pH 7.4): 157477.3; (7)ACD/KOC (pH 5.5): 182702.91; (8)ACD/KOC (pH 7.4): 182702.91; (9)Index of Refraction: 1.811; (10)Molar Refractivity: 97.62 cm3; (11)Molar Volume: 225.8 cm3; (12)Surface Tension: 57.7 dyne/cm; (13)Density: 1.232 g/cm3; (14)Flash Point: 264.5 °C; (15)Enthalpy of Vaporization: 76.86 kJ/mol; (16)Boiling Point: 524.7 °C at 760 mmHg; (17)Vapour Pressure: 1.41E-10 mmHg at 25°C.
Preparation of Benzo[a]naphthacene: this chemical can be prepared by dibenz[a,h]anthracene-7,14-dione. This reaction will need reagent aluminium tricyclohexoxide. The yield is about 45%.
You can still convert the following datas into molecular structure:
(1)SMILES: c35cc2ccc1ccccc1c2cc3cc4ccccc4c5
(2)InChI: InChI=1/C22H14/c1-2-7-17-12-20-14-22-18(13-19(20)11-16(17)6-1)10-9-15-5-3-4-8-21(15)22/h1-14H
(3)InChIKey: JTRPLRMCBJSBJV-UHFFFAOYAI