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1-Acenaphthenone
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Name

1-Acenaphthenone

 EINECS N/A
CAS No. 2235-15-6 Density 1.28 g/cm3
PSA 17.07000 LogP 2.57860
Solubility N/A Melting Point 122 °C
Formula C12H8O Boiling Point 337.118 °C at 760 mmHg
Molecular Weight 168.195 Flash Point 149.123 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 2235-15-6 (1-Acenaphthenone) Hazard Symbols N/A
Synonyms

1-Acenaphthenone(6CI,7CI,8CI);1-Acenaphthone;2-Acenaphthone;Acenaphthenone;Acenaphthylen-1-one;NSC 18756;NSC 22341;1(2H)-Acenaphthylenone;

Article Data 100

1-Acenaphthenone Synthetic route

208-96-8

acenaphthylene

2235-15-6

1(2H)-acenaphthylenone

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With TiCl3-1,2-dimethoxyethane; copper; zinc In 1,2-dimethoxyethane for 1h; Heating;A n/a
B 80%
C 5%
160771-19-7

1-formyl-2-(1-pyrrolidinyl)acenaphthylene

2235-15-6

1(2H)-acenaphthylenone

Conditions
ConditionsYield
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
ConditionsYield
With ammonium cerium(IV) nitrate; oxygen In water at 20℃; for 0.0833333h;A 14%
B 12%
C 59%
5121-00-6

naphthalen-1-yl-acetyl chloride

2235-15-6

1(2H)-acenaphthylenone

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

1-Acenaphthenone 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,

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