1,10-Phenanthroline supplier

Name
o-Phenanthroline
EINECS 200-629-2
CAS No. 66-71-7
Article Data74
CAS DataBase
Density 1.25 g/cm³
Solubility slightly soluble in water
Melting Point 114-117°C(lit.)
Formula C₁₂H₈N₂
Boiling Point 365.089 °C at 760 mmHg
Molecular Weight 181.217
Flash Point 164.756 °C
Transport Information UN 2811 6.1/PG 3
Appearance off-white powder
Safety 45-60-61
Risk Codes 25-50/53
Molecular Structure
Hazard Symbols T,N
Synonyms 1,10-o-Phenanthroline;4,5-Diazaphenanthrene;β-Phenanthroline;phenanthroline;
PSA 25.78000
LogP 2.78300

Synthetic route

: 122108-94-5
{(C12H8N2)((C6H5)3P)Cu(O2CC5H7N2)(H2O)}

A: 66-71-7
1,10-Phenanthroline

B: {copper(I)-3,5-dimethylpyrazolate}(n)

Conditions

Conditions	Yield
In acetone byproducts: CO2, H2O, PPh3; N2 bubbled through an acetone suspn. of the Cu-complex (0°C), low ratio Cu complex : acetone;	A n/a B 91%
In solid byproducts: CO2, H2O, PPh3; maintained at 120°C under vac. (1E-2 Torr);

: 3188-84-9
1,2,3,4-tetrahydro-1,10-phenanthroline

: 66-71-7
1,10-Phenanthroline

Conditions

Conditions	Yield
With copper(I) oxide; dmap; N-hydroxyphthalimide; oxygen In acetonitrile at 120℃; for 12h; Sealed tube;	80%
With potassium tert-butylate In o-xylene at 140℃; for 36h; Inert atmosphere;	15%
With platinum; oxygen In methanol at 40℃; under 750.075 Torr; Schlenk technique; Sealed tube;	100 %Chromat.
With tert.-butylhydroperoxide In water at 20℃; for 18h; Sealed tube;	78 %Spectr.

: [Ru(1,10-phenanthroline)2Cl2]

: di (1,10-phenanthroline)silver(I) nitrate

A: 66-71-7
1,10-Phenanthroline

B: 14126-11-5
{Ru(1,10-phenanthroline)3}(NO3)2*2H2O

Conditions

Conditions	Yield
With NaNO3 In methanol byproducts: AgCl; heated to reflux for 15 min; cooled, filtered, concd., addn. of an aq. soln. of NaNO3, pptn. filtered off, washed with diethyl ether, recrystn. (water or water-methanol 9:1); elem. anal.;	A n/a B 75%

...Expand

: [Ru(1,10-phenanthroline)2Cl2]

: 58034-59-6
{Ag(1,10-phenanthroline)2}ClO4

: sodium perchlorate

A: 66-71-7
1,10-Phenanthroline

B: {Ru(phan)3}(ClO4)2*H2O

Conditions

Conditions	Yield
In methanol byproducts: AgCl; heated to reflux for 15 min; cooled, filtered, concd., addn. of an aq. soln. of NaClO4, pptn. filtered off, washed with diethyl ether, recrystn. (water or water-methanol 9:1); elem. anal.;	A n/a B 75%

...Expand

: 942267-02-9
(Z)-1,2-di(2-bromopyridin-3-yl)ethene

: 66-71-7
1,10-Phenanthroline

Conditions

Conditions	Yield
With copper In N,N-dimethyl-formamide for 5h; Ullmann coupling; Heating;	67%

: 65115-91-5
5,6-epoxy-5,6-dihydro-[1,10]phenanthroline

: 66-71-7
1,10-Phenanthroline

Conditions

Conditions	Yield
With 2,4,6-trimereaptotriazine, trisodium salt, nonahydrate In ethanol	65%

: 2,3-dinitrobenzene-1,4-dicarbaldehyde

: 75-07-0
acetaldehyde

: 66-71-7
1,10-Phenanthroline

Conditions

Conditions	Yield
With potassium hydroxide In ethanol for 8h; Sealed tube; Reflux;	64%

: ruthenium(III) chloride trihydrate

: di (1,10-phenanthroline)silver(I) nitrate

A: 66-71-7
1,10-Phenanthroline

B: 14126-11-5
{Ru(1,10-phenanthroline)3}(NO3)2*2H2O

Conditions

Conditions	Yield
With NaNO3 In methanol byproducts: AgCl; heated to reflux for 30 min; cooled, filtered, concd., addn. of an aq. soln. of NaNO3, pptn. filtered off, washed with diethyl ether, recrystn. (water or water-methanol 9:1); elem. anal.;	A n/a B 55%

...Expand

: ruthenium(III) chloride trihydrate

: 58034-59-6
{Ag(1,10-phenanthroline)2}ClO4

: sodium perchlorate

A: 66-71-7
1,10-Phenanthroline

B: {Ru(phan)3}(ClO4)2*H2O

Conditions

Conditions	Yield
In methanol byproducts: AgCl; heated to reflux for 30 min; cooled, filtered, concd., addn. of an aq. soln. of NaClO4, pptn. filtered off, washed with diethyl ether, recrystn. (water or water-methanol 9:1); elem. anal.;	A n/a B 55%

...Expand

: 2,3-diaminobenzene-1,4-dicarbaldehyde

: 75-07-0
acetaldehyde

: 66-71-7
1,10-Phenanthroline

Conditions

Conditions	Yield
With potassium hydroxide In ethanol at 80℃; for 8h; Schlenk technique;	47%

: 815-68-9
3-acetylpentane-2,4-dione

: 158753-17-4
8-amino-7-quinolinecarbaldehyde

A: 66-71-7
1,10-Phenanthroline

B: 3002-77-5
2-methyl-1,10-phenanthroline

Conditions

Conditions	Yield
With potassium hydroxide In ethanol for 8h; Friedlaender reaction; Heating;	A 33% B 39%

...Expand

: 578-66-5
8-amino quinoline

: 66-71-7
1,10-Phenanthroline

: 95-54-5
1,2-diamino-benzene

: 56-81-5
glycerol

: 66-71-7
1,10-Phenanthroline

Conditions

Conditions	Yield
With sulfuric acid; nitrobenzene
With sulfuric acid; orthoarsenic acid

: 95-54-5
1,2-diamino-benzene

: 66-71-7
1,10-Phenanthroline

Conditions

Conditions	Yield
With sulfuric acid; orthoarsenic acid; glycerol
With sulfuric acid; orthoarsenic acid; glycerol Reagens 4: HgCl2;

: 23647-26-9
1-methyl-1,10-phenanthrolinium iodide

: 66-71-7
1,10-Phenanthroline

Conditions

Conditions	Yield
With sulfolane; triphenylphosphine at 151℃; Rate constant;

: 2143-61-5
n-Propyl-Radikal

A: 66-71-7
1,10-Phenanthroline

B: 187737-37-7
propene

C: 5331-48-6
n-propylacetamide

D: 80186-77-2
4-propyl-[1,10]phenanthroline

Conditions

Conditions	Yield
With tris(1,10-phenanthroline)iron(III) tris(hexafluorophosphate) In acetonitrile at 25℃; Rate constant; competition with BrCCL3, other complexes;

...Expand

: 3531-45-1
n-propyltrimethyltin

: 75-05-8
acetonitrile

A: 66-71-7
1,10-Phenanthroline

B: 187737-37-7
propene

C: 5331-48-6
n-propylacetamide

D: 80186-77-2
4-propyl-[1,10]phenanthroline

Conditions

Conditions	Yield
With sodium hydroxide 1.) 22 deg C; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 3531-46-2
Isopropyl-trimethyl-stannane

: 75-05-8
acetonitrile

A: 66-71-7
1,10-Phenanthroline

B: 187737-37-7
propene

C: 1118-69-0
N-isopropylacetamide

D: 80186-78-3
4-isopropyl-1,10-phenanthroline

Conditions

Conditions	Yield
With sodium hydroxide 1.) 22 deg C; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 653-37-2
perfluorobenzaldehyde

: 66-71-7
C12H9N2

A: 66-71-7
1,10-Phenanthroline

B: C7HF5O(1-)

Conditions

Conditions	Yield
In water Rate constant; Equilibrium constant; Irradiation; HClO4, H2KPO4, Na2HPO4, Na2B2O7, NaOH, t-BuOH;

...Expand

: 652-29-9
2',3',4',5',6'-pentafluoroacetophenone

: 66-71-7
C12H9N2

A: 66-71-7
1,10-Phenanthroline

B: 2,3,4,5,6-Pentafluoroacetophenone radical anion

Conditions

Conditions	Yield
In water Rate constant; Equilibrium constant; Irradiation; HClO4, H2KPO4, Na2HPO4, Na2B2O7, NaOH, t-BuOH;

...Expand

: 3531-45-1
n-propyltrimethyltin

Fe(phenanthroline)3(PF6)3: Fe(phenanthroline)3(PF6)3

A: 66-71-7
1,10-Phenanthroline

B: 187737-37-7
propene

C: 5331-48-6
n-propylacetamide

D: 80186-77-2
4-propyl-[1,10]phenanthroline

Conditions

Conditions	Yield
With sodium hydroxide 1.) acetonitrile, 22 deg C; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 3531-45-1
n-propyltrimethyltin

Os(phenanthroline)3(PF6)3: Os(phenanthroline)3(PF6)3

A: 66-71-7
1,10-Phenanthroline

B: 187737-37-7
propene

C: 5331-48-6
n-propylacetamide

D: 80186-77-2
4-propyl-[1,10]phenanthroline

Conditions

Conditions	Yield
With sodium hydroxide 1.) acetonitrile, 25 deg C; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 3531-45-1
n-propyltrimethyltin

Ru(phenanthroline)3(PF6)3: Ru(phenanthroline)3(PF6)3

A: 66-71-7
1,10-Phenanthroline

B: 187737-37-7
propene

C: 5331-48-6
n-propylacetamide

D: 80186-77-2
4-propyl-[1,10]phenanthroline

Conditions

Conditions	Yield
With sodium hydroxide 1.) acetonitrile, 25 deg C; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 594-27-4
tetramethylstannane

Fe(phenanthroline)3(PF6)3: Fe(phenanthroline)3(PF6)3

A: 66-71-7
1,10-Phenanthroline

B: 31301-28-7
4-methyl-1,10-phenanthroline

C (CH3)3Sn(NH3)2PF6: (CH3)3Sn(NH3)2PF6

Conditions

Conditions	Yield
With sodium hydroxide 1.) acetonitrile, 70 deg C, 2 h; Yield given. Multistep reaction;

...Expand

: 3531-44-0
Ethyltrimethylstannan

Fe(phenanthroline)3(PF6)3: Fe(phenanthroline)3(PF6)3

A: 80206-19-5
4-ethyl-[1,10]phenanthroline

B: 66-71-7
1,10-Phenanthroline

C: 31301-28-7
4-methyl-1,10-phenanthroline

D: 625-50-3
N-ethylacetamide

E Me3Sn(NH3)2PF6: Me3Sn(NH3)2PF6

Conditions

Conditions	Yield
With sodium hydroxide 1.) acetonitrile, 22 deg C; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 3531-44-0
Ethyltrimethylstannan

: 75-05-8
acetonitrile

A: 80206-19-5
4-ethyl-[1,10]phenanthroline

B: 66-71-7
1,10-Phenanthroline

C: 31301-28-7
4-methyl-1,10-phenanthroline

D: 625-50-3
N-ethylacetamide

E Me3Sn(NH3)2PF6: Me3Sn(NH3)2PF6

Conditions

Conditions	Yield
With sodium hydroxide 1.) 22 deg C; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 3531-46-2
Isopropyl-trimethyl-stannane

Fe(phenanthroline)3(PF6)3: Fe(phenanthroline)3(PF6)3

A: 66-71-7
1,10-Phenanthroline

B: 187737-37-7
propene

C: 1118-69-0
N-isopropylacetamide

D: 80186-78-3
4-isopropyl-1,10-phenanthroline

Conditions

Conditions	Yield
With sodium hydroxide 1.) acetonitrile, 22 deg C; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: methyltrioxorhenium and 1,10-phenanthroline 1:1 complex

: 366-18-7
[2,2]bipyridinyl

A: methyltrioxorhenium and 2,2'-bipyridine 1:1 complex

B: 66-71-7
1,10-Phenanthroline

Conditions

Conditions	Yield
at 21.85℃; Equilibrium constant;

...Expand

: 7521-41-7
2-Aminonicotinaldehyde

methanolic KOH: methanolic KOH

: 66-71-7
1,10-Phenanthroline

Conditions

Conditions	Yield
In ethanol; dichloromethane

: 66-71-7
1,10-Phenanthroline

: 4199-88-6
5-Nitro-1,10-phenanthroline

Conditions

Conditions	Yield
With sulfuric acid; nitric acid at 160℃; for 3h;	100%
With sulfuric acid; nitric acid at 160℃;	99%
With sulfuric acid; nitric acid at 160℃; for 3h;	99%

: 66-71-7
1,10-Phenanthroline

: 27318-90-7
1,10-phenanthroline-5,6-dione

Conditions

Conditions	Yield
With sulfuric acid; nitric acid; sodium bromide at 90℃; for 2h;	100%
With sulfuric acid; nitric acid; potassium bromide at 130℃; for 3h;	98.1%
With sulfuric acid; nitric acid; potassium bromide at 95℃; for 3h; Cooling with ice; Sealed tube; Schlenk technique;	97%

: 66-71-7
1,10-Phenanthroline

: 109-64-8
1,3-dibromo-propane

: 15302-99-5
6,7-dihydro-5H-[1,4]diazepino[1,2,3,4-l,m,n][1,10]phenanthroline-4,8-diium dibromide

Conditions

Conditions	Yield
In chlorobenzene at 70 - 120℃;	100%
In nitrobenzene at 120℃;	100%
for 12h; Reflux;	99%

: 66-71-7
1,10-Phenanthroline

: 12146-37-1, 124717-04-0
(bicyclo[2.2.1]hepta-2,5-diene)tetracarbonylmolybdenum(0)

A: 15740-78-0
(1,10-phenanthroline)molybdenum tetracarbonyl

B: 121-46-0
bicyclo[2.2.1]hepta-2,5-diene

Conditions

Conditions	Yield
In tetrahydrofuran reaction in a calorimeter under argon;	A 100% B n/a

...Expand

: 7647-01-0
hydrogenchloride

: 66-71-7
1,10-Phenanthroline

: 10466-65-6
potassium perrhenate

A: dipotassium oxopentachlororhenate(5+)

B: 17428-51-2
o-phenanthrolinium oxopentachlororhenate(V)

Conditions

Conditions	Yield
With hydroquinone In acetic anhydride; acetic acid under N2 at room temp.; passing HCl gas through soln. of KReO4 in acetic acid and (Ac)2O till clear soln. (rhenate), mixed with hydroquinone inacetic acid, pptn. of KReOCl5, to mother liquor addn. of phenanthrolinen AcOH contg. (Ac)2O, pptn.; filtered, washed (acetic acid), kept in vacuo for 5 h; elem. anal.;	A 100% B 100%

...Expand

: 66-71-7
1,10-Phenanthroline

: 10466-65-6
potassium perrhenate

: 17428-51-2
o-phenanthrolinium oxopentachlororhenate(V)

Conditions

Conditions	Yield
With hydroquinone In hydrogenchloride under N2 at room temp.; KReO4 suspended in concd. HCl, shaken, addn. ofhydroquinone in concd. HCl, yellow soln. obtained, addn. of phenanthroline, pptn.; filtered, washed (acetic acid), kept in vacuo for 5 h;	100%

: 75-77-4
chloro-trimethyl-silane

: 66-71-7
1,10-Phenanthroline

: molybdenium(II) acetate dimer

: 178552-10-8
Mo2Cl4(C12H8N2)2

Conditions

Conditions	Yield
In tetrahydrofuran (Ar); stirring (5 h); washing (hexane), drying (vac.); elem. anal.;	100%

...Expand

: 66-71-7
1,10-Phenanthroline

: 52462-29-0
[ruthenium(II)(η6-1-methyl-4-isopropyl-benzene)(chloride)(μ-chloride)]2

: 861392-78-1
chloro(p-cymene)(η2-1,10-phenanthroline-κ2N)ruthenium

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 3h; Inert atmosphere; Schlenk technique;	100%
In dichloromethane inert atm.; 2 equiv of phenanthroline was added to a suspn. of complex in CH2Cl2, the mixt. was stirred for 3 h at room temp.; evapd. to dryness, dissolved in water, filtered, evapd. to dryness; elem. anal.;	99%
In dichloromethane at 20℃; for 0.5h;	51%

: 66-71-7
1,10-Phenanthroline

: 8Cu(1+)*8((CH3)2CH)3C6H2S(1-)=[CuS((CH3)2CH)3C6H2]8

: [CuS((CH3)2CH)3C6H2]2(C12H8N2)2

Conditions

Conditions	Yield
In toluene Ar atm.; stirring; concn., addn. of hexane, crystn. (-30°C, overnight), filtn., drying (vac., 40°C);	100%

: 66-71-7
1,10-Phenanthroline

: 64443-05-6
tetrakis(actonitrile)copper(I) hexafluorophosphate

: 124318-69-0
2,9-bis(2,6-dimethoxyphenyl)-3-ethynyl-[1,10]-phenanthroline

: 1196061-73-0
Cu(C12H6N2(C6H3(OCH3)2)2)(C12H8N2)(1+)*PF6(1-)=CuC40H32N4O4PF6

Conditions

Conditions	Yield
In [D3]acetonitrile	100%

...Expand

: 66-71-7
1,10-Phenanthroline

: 7783-68-8
niobium pentafluoride

: 4648-54-8
trimethylsilylazide

: 1628265-33-7
[Nb(N3)4(1,10-phen)2][Nb(N3)6]

Conditions

Conditions	Yield
In acetonitrile at -196 - 20℃; for 6h;	100%

...Expand

: 66-71-7
1,10-Phenanthroline

: 7783-71-3
tantalum pentafluoride

: 4648-54-8
trimethylsilylazide

: 1628265-35-9
[Ta(N3)4(1,10-phen)2][Ta(N3)6]

Conditions

Conditions	Yield
In acetonitrile at -196 - 20℃; for 6h;	100%

...Expand

: 66-71-7
1,10-Phenanthroline

: 64443-05-6
tetrakis(actonitrile)copper(I) hexafluorophosphate

: C186H146N14Zn*1.5CH2Cl2

: C210H162Cu2N18Zn(2+)*2F6P(1-)

Conditions

Conditions	Yield
In dichloromethane-d2	100%

...Expand

: 66-71-7
1,10-Phenanthroline

: 1613741-33-5
2-(6-(2,4,6-trimethylphenyl)pyridin-2-yl)-9-(2,4,6-trimethylphenyl)[1,10]phenanthroline

: 54010-75-2
zinc trifluoromethanesulfonate

: Zn(2+)*2CF3O3S(1-)*C35H31N3*C12H8N2

Conditions

Conditions	Yield
In dichloromethane-d2; [D3]acetonitrile	100%

...Expand

: 66-71-7
1,10-Phenanthroline

: copper(II) perchlorate hexahydrate

: 1613741-33-5
2-(6-(2,4,6-trimethylphenyl)pyridin-2-yl)-9-(2,4,6-trimethylphenyl)[1,10]phenanthroline

: C47H39CuN5(2+)*2ClO4(1-)

Conditions

Conditions	Yield
In dichloromethane-d2; [D3]acetonitrile	100%

...Expand

: 108-86-1
bromobenzene

: 66-71-7
1,10-Phenanthroline

: 15302-81-5
6,7-dihydro-5H-[1,4]diazepino[1,2,3,4-lmn][1,10]phenanthroline-4,8-diium

Conditions

Conditions	Yield
at 115℃; for 4h;	100%

: 66-71-7
1,10-Phenanthroline

: bromotris(pentafluoroethyl)stannane

: bromotris(pentafluoroethyl)-1,10-phenanthrolinetin(IV)

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 30h; Inert atmosphere; Schlenk technique;	100%

: 66-71-7
1,10-Phenanthroline

: dibromobis(pentafluoroethyl)stannane

: dibromobis(pentafluoroethyl)-1,10-phenanthrolinetin(IV)

Conditions

Conditions	Yield
In dichloromethane for 30h; Inert atmosphere; Schlenk technique;	100%

: 66-71-7
1,10-Phenanthroline

: iodotris(pentafluoroethyl)stannane

: C16H8F15IN2Sn

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 1h;	100%

: 66-71-7
1,10-Phenanthroline

: 718-64-9
1,1,1,3,3,3-hexafluoro-2-phenylisopropyl alcohol

: 1197008-50-6
C30H37N3W

: (2-trifluoromethyl-2-phenyl-1,1,1-trifluoroethoxy)-2,6-dimethylphenylimide tungsten (VI) (2,5-dimethylpyrrolide)(neophylidene)(1,10-phenanthroline)

Conditions

Conditions	Yield
Stage #1: 1,1,1,3,3,3-hexafluoro-2-phenylisopropyl alcohol; C30H37N3W In benzene at 20℃; for 0.5h; Stage #2: 1,10-Phenanthroline In benzene at 20℃; for 1h;	100%

...Expand

: 66-71-7
1,10-Phenanthroline

: copper(ll) sulfate pentahydrate

: bis(triethylammonium)-decahydro-closo-decaborate

: [Cu(phen)2][B10H10]

Conditions

Conditions	Yield
In water; N,N-dimethyl-formamide for 0.0833333h;	100%

...Expand

: 66-71-7
1,10-Phenanthroline

: 4648-54-8
trimethylsilylazide

: 7783-63-3
titanium(IV) fluoride

: C12H8N14Ti

Conditions

Conditions	Yield
In acetonitrile at -196 - 20℃; for 16h;	100%

...Expand

: 66-71-7
1,10-Phenanthroline

: 888020-56-2
tris(p-trifluoromethylphenyl)phosphine gold bis(trifluoromethanesulfonyl)imidate

: C33H20AuF9N2P(1+)*C2F6NO4S2(1-)

Conditions

Conditions	Yield
In dichloromethane Inert atmosphere;	100%

: 66-71-7
1,10-Phenanthroline

: tris(4-methoxyphenyl)phosphine gold bis(trifluoromethanesulfonyl)imidate

: C33H29AuN2O3P(1+)*C2F6NO4S2(1-)

Conditions

Conditions	Yield
In dichloromethane Inert atmosphere;	100%

: 66-71-7
1,10-Phenanthroline

: 890410-20-5
[(C6F5)3PAuNTf2]

: (Phen)(C6F5)3PAu(I)NTf2

Conditions

Conditions	Yield
In dichloromethane Inert atmosphere;	100%

: 66-71-7
1,10-Phenanthroline

: 1160111-28-3
[(Cy3P)Au]N(trifluoromethylsulfonyl)2

: C30H41AuN2P(1+)*C2F6NO4S2(1-)

Conditions

Conditions	Yield
In dichloromethane Inert atmosphere;	100%

: 66-71-7
1,10-Phenanthroline

: 1644306-41-1
(p-tolyl)3PAuN(trifluoromethanesulfonyl)2

: C33H29AuN2P(1+)*C2F6NO4S2(1-)

Conditions

Conditions	Yield
In dichloromethane Inert atmosphere;	100%

: 66-71-7
1,10-Phenanthroline

: 1160111-27-2
Au(PMe3)NTf2

: C15H17AuN2P(1+)*C2F6NO4S2(1-)

Conditions

Conditions	Yield
In dichloromethane Inert atmosphere;	100%

: 66-71-7
1,10-Phenanthroline

: 866395-16-6, 1246810-76-3
[bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I)

: (Phen)Ph3PAuINTf2

Conditions

Conditions	Yield
In dichloromethane Inert atmosphere;	100%

: 66-71-7
1,10-Phenanthroline

: 12C17H16N6O2*4Fe(2+)*8CF3O3S(1-)

A: 85152-70-1
tris(1,10-phenanthroline)iron(II) triflate

B: 1-([2,2'-bipyridine]-5-ylmethyl)-3-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)urea

Conditions

Conditions	Yield
In [D3]acetonitrile	A 100% B n/a

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1,10-Phenanthroline Consensus Reports

Reported in EPA TSCA Inventory.

1,10-Phenanthroline Specification

The 1,10-Phenanthroline, with the CAS registry number 66-71-7 and EINECS registry number 200-629-2, has the systematic name of 1,10-o-Phenanthroline. And the molecular formula of this chemical is C₁₂H₈N₂. It is a kind of off-white powder, and belongs to the following product categories: Industrial/Fine Chemicals; Heterocyclic Building Blocks; N-Containing.

The physical properties of 1,10-Phenanthroline are as following: (1)ACD/LogP: 2.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.085; (4)ACD/LogD (pH 7.4): 2.244; (5)ACD/BCF (pH 5.5): 20.669; (6)ACD/BCF (pH 7.4): 29.861; (7)ACD/KOC (pH 5.5): 273.539; (8)ACD/KOC (pH 7.4): 395.176; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å²; (13)Index of Refraction: 1.74; (14)Molar Refractivity: 58.12 cm³; (15)Molar Volume: 144.113 cm³; (16)Polarizability: 23.041×10^-24cm³; (17)Surface Tension: 61.295 dyne/cm; (18)Density: 1.25 g/cm³; (19)Flash Point: 164.756 °C; (20)Enthalpy of Vaporization: 58.73 kJ/mol; (21)Boiling Point: 365.089 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation and uses of 1,10-Phenanthroline: It can be prepared by heating the o-phenylenediamine and glycerol, nitrobenzene and sulfuric acid. And it is often used as electroplating additives and analytical reagent. It is also used as redox indicator. What's more, it is used as reagent for the determination of iron, palladium, vanadium, copper and iron.

Chemical reaction: It is used in the synthesis of other chemicals. For example, it can react with butyllithium to produce 2,9-di-n-butyl-1,10-phenanthroline. This reaction will need reagent H₂O, and the solvents MnO₂ and toluene. The reaction time is 16 hours with temperature of 20°C, and the yield is about 62%.

1,10-Phenanthroline can react with butyllithium to produce 2,9-di-n-butyl-1,10-phenanthroline

You should be cautious while dealing with this chemical. It is toxic if swallowed. It is also very toxic to aquatic organisms, and may cause long-term adverse effects in the aquatic environment . Therefore, you had better take the following instructions: This material and/or its container must be disposed of as hazardous waste; Avoid release to the environment. Refer to special instructions safety data sheet; In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2ccc3cccnc3c2nc1
(2)InChI: InChI=1/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H
(3)InChIKey: DGEZNRSVGBDHLK-UHFFFAOYAW

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	75mg/kg (75mg/kg)	KIDNEY, URETER, AND BLADDER: OTHER CHANGES IN URINE COMPOSITION KIDNEY, URETER, AND BLADDER: OTHER CHANGES	Journal of Pharmacology and Experimental Therapeutics. Vol. 196, Pg. 478, 1976.
mouse	LD50	intravenous	18mg/kg (18mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 137, Pg. 1, 1962.

Product Name

o-Phenanthroline

Synthetic route

1,10-Phenanthroline Consensus Reports

1,10-Phenanthroline Specification

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