Dibenzo[a,l]pentacene supplier

Name
1,2:8,9-DIBENZOPENTACENE
EINECS 205-933-9
CAS No. 227-09-8
Article Data4
CAS DataBase
Density 1.286 g/cm³
Solubility
Melting Point
Formula C₃₀H₁₈
Boiling Point 677 °C at 760 mmHg
Molecular Weight 378.473
Flash Point 360.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,8,9-Dibenzopentacene;1,2:8,9-Dibenzpentacene;NSC 90327;Dibenzopentacene;Dibenzo-1,2,8,9-pentacene;
PSA 0.00000
LogP 8.60580

Synthetic route

: 8,17-dihydro-8,17-methanodibenzo[a,l]pentacen-19-one

: 227-09-8
1,2:8,9-dibenzopentacene

Conditions

Conditions	Yield
In neat (no solvent) at 200℃; for 0.25h; Inert atmosphere;	100%

: 1,3-bis-(2-methyl-[1]naphthoyl)-benzene

A: 227-09-8
1,2:8,9-dibenzopentacene

B: 222-51-5
dibenzo[c,m]dibenzo[d,d’]phenanthrene

Conditions

Conditions	Yield
Erhitzen auf Siedetemperatur unter Abdestillieren des entstehenden Wassers;

: 1,4-bis-(2-methyl-[1]naphthoyl)-benzene

A: 227-09-8
1,2:8,9-dibenzopentacene

B: 222-51-5
dibenzo[c,m]dibenzo[d,d’]phenanthrene

Conditions

Conditions	Yield
Erhitzen auf Siedetemperatur unter Abdestillieren des entstehenden Wassers;

1.3-bis-<2-methyl-naphthoyl-(1)>-benzene: 1.3-bis-<2-methyl-naphthoyl-(1)>-benzene

A: 227-09-8
1,2:8,9-dibenzopentacene

B: 222-51-5
dibenzo[c,m]dibenzo[d,d’]phenanthrene

1.4-bis-<2-methyl-naphthoyl-(1)>-benzene: 1.4-bis-<2-methyl-naphthoyl-(1)>-benzene

A: 227-09-8
1,2:8,9-dibenzopentacene

B: 222-51-5
dibenzo[c,m]dibenzo[d,d’]phenanthrene

7.9.16.18-tetraoxo-7.9.16.18-tetrahydro-dibenzo<a.l>pentacene: 7.9.16.18-tetraoxo-7.9.16.18-tetrahydro-dibenzo<a.l>pentacene

A: 227-09-8
1,2:8,9-dibenzopentacene

B: 8,17-dihydro-dibenzo[a,l]pentacene

Conditions

Conditions	Yield
With sodium chloride; zinc(II) chloride; zinc at 210 - 310℃;

: 81682-86-2
dibenzo[a,l]pentacene-7,9,16,18-tetraone

zinc-powder: zinc-powder

NaCl: NaCl

ZnCl2: ZnCl2

A: 227-09-8
1,2:8,9-dibenzopentacene

B: 8,17-dihydro-dibenzo[a,l]pentacene

Conditions

Conditions	Yield
at 310℃;

...Expand

: 19,19-dimethoxy-8,17-dihydro-8,17-methanodibenzo[a,l]pentacene

: 227-09-8
1,2:8,9-dibenzopentacene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: trimethylsilyl iodide / dichloromethane / 3 h / 20 - 45 °C / Schlenk technique; Inert atmosphere 2: neat (no solvent) / 0.25 h / 200 °C / Inert atmosphere View Scheme

: 108-31-6
maleic anhydride

: 227-09-8
1,2:8,9-dibenzopentacene

: (+/-)-8,17-dihydro-8,17-ethano-dibenzo[a,l]pentacene-19r,20c-dicarboxylic acid-anhydride

Conditions

Conditions	Yield
With 1,2,4-Trimethylbenzene

: 227-09-8
1,2:8,9-dibenzopentacene

: 65492-98-0
dibenzo[a,l]pentacene-8,17-dione

Conditions

Conditions	Yield
With air; xylene Einwirkung von Sonnenlicht;
With selenium(IV) oxide; nitrobenzene

: 108-31-6
maleic anhydride

: 227-09-8
1,2:8,9-dibenzopentacene

: C34H20O3

Conditions

Conditions	Yield
In various solvent(s) at 91.5℃; Mechanism; Rate constant; analogous reaction of other polycyclic aromatic hydrocarbons; structure/reactivity correlations, application of theoretical models;

: 227-09-8
1,2:8,9-dibenzopentacene

: 58802-20-3
1,2,7,8-tetrachlorodibenzofuran

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 58802-19-0
2,4,6,8-tetrachlorodibenzofuran

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 51207-31-9
2,3,7,8-Tetrachlorodibenzofuran

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 24478-72-6
1,2,3,4-tetrachlorodibenzofuran

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 20020-02-4
1,2,3,4-tetrachloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 31604-28-1
1,3,5,8-tetrachloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 53555-63-8
1,2,3,5-tetrachloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 50402-51-2
1,2,4-trichloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 50402-52-3
1,2,3-trichloro-naphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 51570-44-6
1,2,6-trichloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 55720-43-9
1,4,6,7-tetrachloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 55720-34-8
1,2,7-trichloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 55720-39-3
1,6,7-trichloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 55720-33-7
1,2,5-trichloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 55720-35-9
1,2,8-trichloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 55720-42-8
1,3,6,7-tetrachloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 55720-41-7
1,2,3,7-Tetrachloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 51570-45-7
1,2,4,6-tetrachloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 53555-65-0
1,2,3,5,7-pentachloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 67922-23-0
1,2,5,7-tetrachloro-naphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

1,2,4,8-tetrachloronaphthalene: 6529-87-9
1,2,4,8-tetrachloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 67922-21-8
1,2,4,7-tetrachloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 67922-22-9
1,2,5,6-tetrachloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

: 227-09-8
1,2:8,9-dibenzopentacene

: 67922-26-3
1,2,3,4,6-Pentachloronaphthalene

Conditions

Conditions	Yield
With oxygen; pyrographite; copper(l) chloride at 400℃; for 2h; Oxidation; chlorination; Formation of xenobiotics;

Dibenzo[a,l]pentacene Specification

The CAS register number of Dibenzo[a,l]pentacene is 227-09-8. It also can be called as 1,2,8,9-Dibenzopentacene. The molecular formula about this chemical is C₃₀H₁₈ and the molecular weight is 378.46.

Physical properties about Dibenzo[a,l]pentacene are: (1)ACD/LogP: 9.60; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.6; (4)ACD/LogD (pH 7.4): 9.6; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 3987904.25; (8)ACD/KOC (pH 7.4): 3987904.25; (9)Index of Refraction: 1.867; (10)Molar Refractivity: 133.3 cm³; (11)Molar Volume: 294.1 cm³; (12)Polarizability: 52.84x10^-24cm³; (13)Surface Tension: 63.4 dyne/cm; (14)Density: 1.286 g/cm³; (15)Flash Point: 360.6 °C; (16)Enthalpy of Vaporization: 95.81 kJ/mol; (17)Boiling Point: 677 °C at 760 mmHg; (18)Vapour Pressure: 2E-17 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: c37cc2ccc1ccccc1c2cc3cc6cc5ccc4c(cccc4)c5cc6c7
(2)InChI: InChI=1/C30H18/c1-3-7-27-19(5-1)9-11-21-13-23-16-26-18-30-22(12-10-20-6-2-4-8-28(20)30)14-24(26)15-25(23)17-29(21)27/h1-18H
(3)InChIKey: XSTMLGGLUNLJRY-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C30H18/c1-3-7-27-19(5-1)9-11-21-13-23-16-26-18-30-22(12-10-20-6-2-4-8-28(20)30)14-24(26)15-25(23)17-29(21)27/h1-18H
(5)Std. InChIKey: XSTMLGGLUNLJRY-UHFFFAOYSA-N

Product Name

1,2:8,9-DIBENZOPENTACENE

Synthetic route

Dibenzo[a,l]pentacene Specification

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