CAS No.2235-15-6,1-Acenaphthenone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2235-15-6
Name:	1-Acenaphthenone
Article Data:	100

Formula:	C₁₂H₈O
Molecular Weight:	168.195
Synonyms:	1-Acenaphthenone(6CI,7CI,8CI);1-Acenaphthone;2-Acenaphthone;Acenaphthenone;Acenaphthylen-1-one;NSC 18756;NSC 22341;1(2H)-Acenaphthylenone;
Density:	1.28 g/cm³
Melting Point:	122 °C
Boiling Point:	337.118 °C at 760 mmHg
Flash Point:	149.123 °C
PSA:	17.07000
LogP:	2.57860

Synthetic route

: 208-96-8
acenaphthylene

: 2235-15-6
1(2H)-acenaphthylenone

Conditions

Conditions	Yield
With oxygen; isobutyraldehyde In acetonitrile at 60℃; for 3h;	98%
With dinitrogen monoxide; dioxo(tetramesitylporphyrinato)ruthenium(VI) In fluorobenzene at 100℃; under 7500.6 Torr;	87%
With iodosylbenzene; iron(III) tetraphenylporphyrin In dichloromethane for 1h;	58%
With iodosylbenzene; μ-oxo dimer of iron(III)porphyrinate In methanol at 21.9℃; for 3h; Product distribution; Mechanism; catalysts also Fe(III)porphyrinate, Fe(III)tetraphenylporphyrinate; protic and aprotic solvents; inhibition effect by phenanthrene; by-products;	28%
With dinitrogen monoxide at 300℃; under 367754 Torr;

: 6306-07-6
1-acenaphthenol

: 2235-15-6
1(2H)-acenaphthylenone

Conditions

Conditions	Yield
With potassium dichromate; sulfuric acid In diethyl ether; water at 0℃; for 0.666667h;	97%
With dinitrogen monoxide; dioxo(tetramesitylporphyrinato)ruthenium(VI) In 1,2-dichloro-ethane at 120℃; under 7600 Torr; for 7.5h;	95%
With dinitrogen monoxide; dioxo(tetramesitylporphyrinato)ruthenium(VI) In 1,2-dichloro-ethane at 120℃; under 7500.6 Torr; for 7.5h;	95%

: 6306-07-6
1-acenaphthenol

A: 65-85-0
benzoic acid

B: 2235-15-6
1(2H)-acenaphthylenone

Conditions

Conditions	Yield
With dibenzoyl peroxide In dichloromethane for 3h; Ambient temperature; Irradiation;	A n/a B 84%

: 83-32-9
acenaphthene

: 2235-15-6
1(2H)-acenaphthylenone

Conditions

Conditions	Yield
With tert.-butylhydroperoxide; V2O5/TiO2 In water at 80℃; for 8h; Sealed tube; Green chemistry;	82%
With potassium permanganate; sulfuric acid; triethylamine In chloroform Ambient temperature;	76%
With tetrakis(pyridine)silver(II) peroxodisulfate In acetonitrile for 1h; Heating;	60%

: 82-86-0
acenaphthene quinone

A: 191-48-0
decacyclene

B: 33928-29-9
2-hydroxyacenaphthylen-1-one

C: 2235-15-6
1(2H)-acenaphthylenone

Conditions

Conditions	Yield
With TiCl3-1,2-dimethoxyethane; copper; zinc In 1,2-dimethoxyethane for 1h; Heating;	A n/a B 80% C 5%

...Expand

: 160771-19-7
1-formyl-2-(1-pyrrolidinyl)acenaphthylene

: 2235-15-6
1(2H)-acenaphthylenone

Conditions

Conditions	Yield
With hydrogenchloride In 1,4-dioxane for 0.5h; Heating;	62%

: 67-56-1
methanol

: 83-32-9
acenaphthene

A: 21857-35-2
1-methoxyacenaphthene

B: 6306-07-6
1-acenaphthenol

C: 2235-15-6
1(2H)-acenaphthylenone

Conditions

Conditions	Yield
With ammonium cerium(IV) nitrate; oxygen In water at 20℃; for 0.0833333h;	A 14% B 12% C 59%

...Expand

: 5121-00-6
naphthalen-1-yl-acetyl chloride

: 2235-15-6
1(2H)-acenaphthylenone

Conditions

Conditions	Yield
With aluminum (III) chloride In dichloromethane at 20℃; for 3h;	58%
With aluminium trichloride In carbon disulfide
With aluminum (III) chloride In carbon disulfide for 2h; Inert atmosphere; Reflux;

: 83-32-9
acenaphthene

A: 6306-07-6
1-acenaphthenol

B: 2235-15-6
1(2H)-acenaphthylenone

Conditions

Conditions	Yield
With N-hydroxyphthalimide; 1,4-diamino-2,3-dichloroanthraquinone; oxygen In acetonitrile at 80℃; under 1875.15 - 2250.18 Torr; for 10h;	A 25 % Chromat. B 54%
With N-hydroxyphthalimide; bromine; oxygen; acridine yellow In acetonitrile at 100℃; under 2250.18 Torr; for 24h;
With Cr2O4(2-)*Cu(2+); dihydrogen peroxide In acetonitrile at 50℃; for 10h;

: 119951-85-8
1-hydroperoxy-1,2-dihydroacenaphthylene

: 2235-15-6
1(2H)-acenaphthylenone

Conditions

Conditions	Yield
With perchloric acid In methanol at 60℃; for 2h;	50%
With sodium hydroxide In methanol; water at 30℃; Rate constant;

Raw Materials

2008-77-7

64-19-7

79-37-8

2963-87-3

141-52-6

67-56-1

22058-69-1

17976-92-0

Downstream Products

477-77-0

81-84-5

191-48-0

193-21-5

208-96-8

13152-81-3

16269-27-5

5656-90-6

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Specification

The 1-Acenaphthenone, with CAS registry number 2235-15-6, belongs to the following product category: Aromatic Phenols. It has the systematic name of acenaphthylen-1(2H)-one. And its IUPAC name is 2H-acenaphthylen-1-one. And the chemical formula of this chemicla is C₁₂H₈O.

Physical properties of 1-Acenaphthenone: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 117.91; (6)ACD/BCF (pH 7.4): 117.91; (7)ACD/KOC (pH 5.5): 1057.87; (8)ACD/KOC (pH 7.4): 1057.87; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.718; (14)Molar Refractivity: 51.78 cm3; (15)Molar Volume: 131.3 cm³; (16)Polarizability: 20.53×10^-24cm³; (17)Surface Tension: 57.9 dyne/cm; (18)Enthalpy of Vaporization: 58.03 kJ/mol; (19)Vapour Pressure: 0.000107 mmHg at 25°C.

Preparation: this chemical can be prepared by acenaphthen-1-ol. This reaction will need reagent nitrous oxide and solvent 1,2-dichloro-ethane. The reaction time is 7.5 hour(s) with reaction temperature of 120 ℃. The yield is about 95%.

Uses of p-Chloropropiophenone: it can be used to produce 2-bromo-acenaphthen-1-one. This reaction will need reagents CS₂, bromine.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C3c1c2c(ccc1)cccc2C3
(2)InChI: InChI=1/C12H8O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6H,7H2
(3)InChIKey: JBXIOAKUBCTDES-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C12H8O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6H,7H2
(5)Std. InChIKey: JBXIOAKUBCTDES-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	100mg/kg (100mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#01783,