1-Acenaphthenone supplier | CasNO.2235-15-6

Name
1-Acenaphthenone
EINECS
CAS No. 2235-15-6
Article Data100
CAS DataBase
Density 1.28 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Acenaphthenone(6CI,7CI,8CI);1-Acenaphthone;2-Acenaphthone;Acenaphthenone;Acenaphthylen-1-one;NSC 18756;NSC 22341;1(2H)-Acenaphthylenone;
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;

: 2008-77-7
2-diazoacenaphthen-1-one

A: 24141-18-2
1,1'-Bi(acenaphthen-1-ylidene)-2,2'-dione

B: 203-42-9
1,2-acenaphthenothiophene

C: acenaphtho<1,2-c><1,2,3>thiadiazole

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

Conditions

Conditions	Yield
With Lawessons reagent; N,N,N,N,N,N-hexamethylphosphoric triamide In benzene Heating;	A 17% B 12% C 48% D 13%

...Expand

: 20496-01-9
4-chloro-n-butyric anhydride

: 208-96-8
acenaphthylene

A: 83-32-9
acenaphthene

B: 88970-55-2
1-Acenaphthen-1-yl-4-chloro-butan-1-one

C: 4-Chloro-butyric acid 1-[2H-acenaphthylen-(1Z)-ylidene]-4-chloro-butyl ester

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

Conditions

Conditions	Yield
In N,N-dimethyl-formamide electrolysis at -1.7 V (0.1 M TBAI); Further byproducts given;	A 6% B 46% C n/a D 8.5%
In N,N-dimethyl-formamide electrolysis at -1.7 V (0.1 M TBAI); Further byproducts given;	A 6% B 46% C 8.5% D 8.5%

...Expand

: 20496-01-9
4-chloro-n-butyric anhydride

: 208-96-8
acenaphthylene

A: 83-32-9
acenaphthene

B: 88970-55-2
1-Acenaphthen-1-yl-4-chloro-butan-1-one

C: 4-Chloro-butyric acid 1-[2H-acenaphthylen-(1E)-ylidene]-4-chloro-butyl ester

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

Conditions

Conditions	Yield
In N,N-dimethyl-formamide electrolysis at -1.7 V (0.1 M TBAI); Further byproducts given;	A 6% B 46% C 3.5% D 8.5%

...Expand

: 108-24-7
acetic anhydride

: 208-96-8
acenaphthylene

A: 83-32-9
acenaphthene

B: Acetic acid 1-[2H-acenaphthylen-(1Z)-ylidene]-ethyl ester

C: Acetic acid 1-[2H-acenaphthylen-(1E)-ylidene]-ethyl ester

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

Conditions

Conditions	Yield
In N,N-dimethyl-formamide electrolysis at -1.7 V (0.1 M TBAI); Further byproducts given;	A 9% B 43% C 18% D n/a

...Expand

: 83-32-9
acenaphthene

A: 6306-07-6, 92720-77-9, 121961-98-6, 121961-97-5
(R)-1,2-dihydroacenaphthylen-1-ol

B: 121961-98-6
(S)-(+)-1,2-dihydroacenaphthylen-1-ol

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

Conditions

Conditions	Yield
With 5-chloro-4,9-(chlorobenzene-2,3-diyl)-2,4-dihydroxy-3a,4,9,9a-tetrahydro-1H-benzo[f]isoindole-1,3(2H)-dione; oxygen; cobalt(II) acetate In acetonitrile at 60℃; under 760.051 Torr; for 10h;	A n/a B n/a C 35%

...Expand

: 2008-77-7
2-diazoacenaphthen-1-one

A: 81-84-5
1,8-Naphthalic anhydride

B: 24141-18-2
1,1'-Bi(acenaphthen-1-ylidene)-2,2'-dione

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

Conditions

Conditions	Yield
With oxygen; isopropyl alcohol for 2h; Ambient temperature; Irradiation;	A 25% B 2% C 24%

...Expand

: 124-38-9
carbon dioxide

: 208-96-8
acenaphthylene

: 74-88-4
methyl iodide

A: 83-32-9
acenaphthene

: 5673-04-1, 5673-22-3, 51869-93-3, 56137-60-1, 93012-10-3
trans-1,2-dicarbomethoxy-1,2-dihydroacenaphthylene

C: Acetic acid 1-[2H-acenaphthylen-(1E)-ylidene]-ethyl ester

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

Conditions

Conditions	Yield
1.) electrolysis at -1.7 V (0.1 M TBAI), DMF, -35 deg C; 2) overnight; Yield given. Multistep reaction. Further byproducts given;	A 9% B n/a C 18% D n/a

...Expand

: 20496-01-9
4-chloro-n-butyric anhydride

: 208-96-8
acenaphthylene

A: Cyclopropanecarboxylic acid 1-[2H-acenaphthylen-(1Z)-ylidene]-4-chloro-butyl ester

B: 4-Chloro-butyric acid [2H-acenaphthylen-(1E)-ylidene]-cyclopropyl-methyl ester

C: 4-Chloro-butyric acid 1-[2H-acenaphthylen-(1Z)-ylidene]-4-chloro-butyl ester

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

Conditions

Conditions	Yield
In N,N-dimethyl-formamide electrolysis at -1.7 V (0.1 M TBAI); Further byproducts given;	A 3% B 4% C 11% D 8%

...Expand

: 1,2-dihydroacenaphthylen-1-yl iodoacetate

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

Conditions

Conditions	Yield
In acetonitrile for 5h; Irradiation;	11%

: 4-Chloro-butyric acid 1-[2H-acenaphthylen-(1Z)-ylidene]-4-chloro-butyl ester

A: Cyclopropanecarboxylic acid 1-[2H-acenaphthylen-(1Z)-ylidene]-4-chloro-butyl ester

B: 4-Chloro-butyric acid [2H-acenaphthylen-(1E)-ylidene]-cyclopropyl-methyl ester

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

Conditions

Conditions	Yield
With acenaphthylene anion radical In N,N-dimethyl-formamide Yield given. Yields of byproduct given;	A n/a B n/a C 7%

...Expand

: 86-87-3
naphth-1-yl acetic acid

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

Conditions

Conditions	Yield
With PPA
Multi-step reaction with 2 steps 1: SOCl2 2: AlCl3 / CS2 View Scheme
Stage #1: naphth-1-yl acetic acid With thionyl chloride; pyridine In dichloromethane at 20℃; for 3h; Friedal Craft reaction; Stage #2: With carbon disulfide; aluminum (III) chloride

: 71739-32-7
2-acetylacenaphthenone

: 60-29-7
diethyl ether

: phenylmagnesium bromide

A: 98-86-2
acetophenone

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

...Expand

: 33489-49-5
acenaphthenequinone monoxime

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

Conditions

Conditions	Yield
With hydrogenchloride; iron; acetic acid

: 14209-08-6
1,2-dibromoacenaphthene

A: 477-77-0
1,1'-biacenaphthylenyliden-2-one

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

Conditions

Conditions	Yield
With hydrogenchloride; ethanol

: 6306-07-6
1-acenaphthenol

: 1066-30-4
chromium(lll) acetate

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

: 13152-85-7
2,2-Dichlor-1(2H)-acenaphthenon

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

Conditions

Conditions	Yield
With acetic acid; zinc

: 17976-92-0
1,2-dihydroacenaphthylene-1,2-diol

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

Conditions

Conditions	Yield
With sodium ethanolate; methyl iodide
With hydrogenchloride

: 83165-56-4
2-phenylimino-acenaphthen-1-one

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

Conditions

Conditions	Yield
With hydrogenchloride; iron; acetic acid

: 83-32-9
acenaphthene

: 67-64-1
acetone

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

Conditions

Conditions	Yield
Einwirkung von Sonnenlicht;

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

: 108-90-7
chlorobenzene

A: 1-(4-chloro-phenyl)-2-[1]naphthyl-ethanone

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

Conditions

Conditions	Yield
With aluminium trichloride

...Expand

: 115345-15-8
allyldioxazaborolidine

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

: 1254364-00-5
C15H14O

Conditions

Conditions	Yield
With trifluoroacetic acid In dichloromethane at 20℃;	99%

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

: 121961-98-6
(S)-(+)-1,2-dihydroacenaphthylen-1-ol

Conditions

Conditions	Yield
With formic acid; C29H38N3O2RuS; triethylamine In ethyl acetate at 40℃; for 24h; Reagent/catalyst; Inert atmosphere; enantioselective reaction;	96%
With (+)-β-chlorodiisopinocampheylborane In tetrahydrofuran at -25℃; for 11h; under argon atmosphere;
With borane-THF; (3aR)-1-methyl-3,3-diphenyl-tetrahydro-pyrrolo[1,2-c][1,3,2]oxazaborole In tetrahydrofuran; dichloromethane; toluene at -30℃;

: 587-04-2
3-Chlorobenzaldehyde

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

: 2-(m-chlorobenzylidene)-1-acenaphthenone

Conditions

Conditions	Yield
With hydrogenchloride In acetic acid for 3h;	95%

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

: 82-86-0
acenaphthene quinone

Conditions

Conditions	Yield
With N-Bromosuccinimide; dimethyl sulfoxide Ambient temperature;	95%
With N-Bromosuccinimide In dimethyl sulfoxide for 24h; Product distribution; Ambient temperature; further halogenating agents; variation of concentration, temperature and time;	95%
Multi-step reaction with 2 steps 1: ethanol; aqueous NaOH-solution 2: diluted aqueous sulfuric acid View Scheme

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

: 6306-07-6, 92720-77-9, 121961-98-6, 121961-97-5
(R)-1,2-dihydroacenaphthylen-1-ol

Conditions

Conditions	Yield
With formic acid; C38H40ClN2O3RhS; triethylamine In neat (no solvent) at 24 - 30℃; for 5.5h; Reagent/catalyst; Inert atmosphere; enantioselective reaction;	95%
With (-)-diisopinocamphenylborane chloride In tetrahydrofuran at -25℃; for 11h; under argon atmosphere;

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

: 6306-07-6
1-acenaphthenol

Conditions

Conditions	Yield
With hydrogen In methanol at 100℃; under 30003 Torr; Temperature; Autoclave;	94.2%
With sodium tetrahydroborate In methanol at 20℃; for 2h;	87%
With hydrogen; nickel at 230℃;

: 68-12-2, 33513-42-7
N,N-dimethyl-formamide

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

: 663599-33-5
2-bromoacenaphthylene-1-carbaldehyde

Conditions

Conditions	Yield
Stage #1: N,N-dimethyl-formamide With phosphorus tribromide In chloroform at 0 - 20℃; for 0.583333h; Stage #2: 1(2H)-acenaphthylenone In chloroform at 20℃; for 12h;	94%
With phosphorus tribromide
Stage #1: N,N-dimethyl-formamide With phosphorus tribromide In chloroform at 20℃; Cooling with ice; Stage #2: 1(2H)-acenaphthylenone In chloroform at 20℃; for 8.16667h;
With phosphorus tribromide In chloroform at 20℃; for 12h;
Stage #1: N,N-dimethyl-formamide With phosphorus(V) oxybromide In chloroform at 0 - 20℃; for 1.5h; Inert atmosphere; Stage #2: 1(2H)-acenaphthylenone In chloroform at 20℃; for 16h;	6.0 g

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

: 16269-27-5
2-bromoacenaphthylen-1(2H)-one

Conditions

Conditions	Yield
With copper(ll) bromide In ethyl acetate Reflux;	91%
With N-Bromosuccinimide; dichloromethane	59%
With carbon disulfide; bromine

: 89-98-5
2-chloro-benzaldehyde

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

: o-chlorobenzylidine acenaphthenone

Conditions

Conditions	Yield
With sodium hydroxide In ethanol for 1h; Ambient temperature;	91%

: 3132-99-8
m-bromobenzoic aldehyde

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

: 2-(m-bromobenzylidene)-1-acenaphthenone

Conditions

Conditions	Yield
With hydrogenchloride In acetic acid for 3h;	91%

: 383-63-1
ethyl trifluoroacetate,

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

: 2-trifluoroacetyl-1-acenaphthenone

Conditions

Conditions	Yield
Stage #1: ethyl trifluoroacetate, With sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Stage #2: 1(2H)-acenaphthylenone In tetrahydrofuran for 2h; Reflux;	89%

: 616-38-6
carbonic acid dimethyl ester

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

: methyl 2-oxo-1,2-dihydroacenaphthylene-1-carboxylate

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran at 65℃; for 3h; Inert atmosphere;	89%

: 89-98-5
2-chloro-benzaldehyde

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

: 122733-68-0
O-chlorobenzylidineacenaphthenone

Conditions

Conditions	Yield
With alkaline hydroxide In ethanol at 0℃;	87.7%

: 100-52-7
benzaldehyde

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

: 70312-09-3
benzylidine acenaphthenone

Conditions

Conditions	Yield
With sodium hydroxide In ethanol for 1h; Ambient temperature;	87%

: 454703-35-6
6-(naphthalen-1-yl)-2-oxo-4-(piperidin-1-yl)-2H-pyran-3-carbonitrile

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

: 1225222-95-6
10-(naphthalen-1-yl)-8-(piperidin-1-yl)fluoranthene-7-carbonitrile

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 0.216667h;	85%

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

: 757235-52-2
6-(4-methoxyphenyl)-2-oxo-4-(piperidin-1-yl)-2H-pyran-3-carbonitrile

: 1537881-59-6
10-(4-methoxyphenyl)-8-(piperidin-1-yl)fluoranthene-7-carbonitrile

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 0.2h;	84%

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

: 757235-52-2
6-(4-methoxyphenyl)-2-oxo-4-(piperidin-1-yl)-2H-pyran-3-carbonitrile

: 10-(4-methoxyphenyl)-8-(pyrrolidin-1-yl)fluoranthene-7-carbonitrile

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran; mineral oil at 25℃; for 0.25h;	84%

: 1493-13-6
trifluorormethanesulfonic acid

: 538-44-3
4,4-dimethyl-1-phenyl-1-penten-3-one

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

: 85973-31-5
4-phenyl-2-t-butyl-1-oxoniafluoranthene trifluoromethanesulphonate

Conditions

Conditions	Yield
at 100℃; for 5h;	83%

...Expand

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

: 480-72-8
1,2,2a,3,4,5-hexahydro-acenaphthylene

Conditions

Conditions	Yield
With triethylsilane; 2C2H3F3O*BF3 In dichloromethane at 20℃; for 4h;	82%
With nickel; decalin at 230℃; Hydrogenation;

: 540-63-6
ethane-1,2-dithiol

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

: 159791-36-3
Spiro

Conditions

Conditions	Yield
With aluminium trichloride In dichloromethane	82%
With toluene-4-sulfonic acid In benzene for 12h; Heating;

: 1122565-64-3
2-oxo-4-(piperidin-1-yl)-6-(pyren-1-yl)-2H-pyran-3-carbonitrile

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

: 1225222-96-7
8-(piperidin-1-yl)-10-(pyren-1-yl)fluoranthene-7-carbonitrile

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 0.25h;	82%

: 454703-34-5
6-(1-naphthyl)-2-oxo-4-pyrrolidin-1-yl-2H-pyran-3-carbonitrile

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

: 1225222-94-5
10-(naphthalen-1-yl)-8-(pyrrolidin-1-yl)fluoranthene-7-carbonitrile

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 0.2h;	82%

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

: 757235-61-3
2-oxo-4-(piperidin-1-yl)-6-(thiophen-2-yl)-2H-pyran-3-carbonitrile

: 1537881-57-4
10-phenyl-8-(pyrrolidin-1-yl)fluoranthene-7-carbonitrile

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 0.2h;	82%

: 454703-31-2
2-oxo-6-phenyl-4-(pyrrolidin-1-yl)-2H-pyran-3-carbonitrile

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

: 1537881-57-4
10-phenyl-8-(pyrrolidin-1-yl)fluoranthene-7-carbonitrile

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran; mineral oil at 27℃; for 0.2h;	82%

: 6-(4-nitrophenyl)-2-oxo-4-(piperidin-1-yl)-2H-pyran-3-carbonitrile

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

: 10-(4-nitrophenyl)-8-(piperidin-1-yl)fluoranthene-7-carbonitrile

Conditions

Conditions	Yield
With sodium hydride In tetrahydrofuran; mineral oil at 25℃; for 0.25h;	81%

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,

Product Name

1-Acenaphthenone

Synthetic route

1-Acenaphthenone Specification

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