Pyrene supplier | CasNO.129-00-0

Name
Pyrene
EINECS 204-927-3
CAS No. 129-00-0
Article Data213
CAS DataBase
Density 1.248 g/cm³
Solubility almost insoluble in water
Melting Point 148 °C
Formula C₁₆H₁₀
Boiling Point 404 °C at 760 mmHg
Molecular Weight 202.255
Flash Point 168.8 °C
Transport Information UN 3077 9/PG 3
Appearance Yellow green crystal
Safety 22-28A-36/37-45-60-61
Risk Codes 26-36/37/38-50/53
Molecular Structure
Hazard Symbols T+,N
Synonyms Benzo[def]phenanthrene;b-Pyrene;AI3-23977;CCRIS 1256;NSC 17534;
PSA 0.00000
LogP 4.58400

Synthetic route

: 69320-05-4
4-ethynyl-phenanthrene

: 129-00-0
pyrene

Conditions

Conditions	Yield
at 800℃; under 0.01 Torr; Product distribution; other temperatures;	100%

: 781-17-9
4,5,9,10-tetrahydropyrene

: 129-00-0
pyrene

Conditions

Conditions	Yield
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In benzene for 4h; Heating;	98%
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In benzene for 48h; Ambient temperature;	80%
With triphenylmethyl perchlorate; acetic acid

: 1714-29-0
1-bromopyrene

: 129-00-0
pyrene

Conditions

Conditions	Yield
With triethylamine In methanol; water at 4℃; for 0.25h; Irradiation; sensitizer: methylene blue;	98%
With tetraethylammonium perchlorate; triethylamine In ethanol; dimethyl sulfoxide at 20℃; for 12h; Electrolysis; Green chemistry;	92%
With tetrabutylammonium perchlorate In N,N-dimethyl-formamide at 22℃; Mechanism; electroreduction at Hg electrode, Pt counter electrode, current oscillations, other temperatures;
Multi-step reaction with 2 steps 1.1: n-butyllithium / tetrahydrofuran / 3 h / -78 °C 1.2: -78 - 20 °C 1.3: 1 h 2.1: caesium carbonate / 1-methyl-pyrrolidin-2-one; water / 10 h / 100 °C View Scheme

: 8-methoxy[2.2]metaparacyclophane-1,9-diene

: 129-00-0
pyrene

Conditions

Conditions	Yield
With titanium tetrachloride In dichloromethane at 0℃; for 0.0166667h;	95%

: 3029-19-4
pyrene-1-aldehyde

: 129-00-0
pyrene

Conditions

Conditions	Yield
With palladium diacetate In cyclohexane at 140℃; for 24h; Molecular sieve; air;	95%
With palladium diacetate; potassium carbonate In ethyl acetate at 150℃; under 12929 Torr; for 0.833333h; Microwave irradiation; Molecular sieve;	95%

: 1-pyrenediazonium tetrafluoroborate

: 129-00-0
pyrene

Conditions

Conditions	Yield
With chloro-trimethyl-silane In tetrahydrofuran; N,N-dimethyl-formamide at 60℃; for 1h;	91%

: 24300-91-2
2,7-di-tertbutylpyrene

: 129-00-0
pyrene

Conditions

Conditions	Yield
With Nafion-H In toluene for 24h; Heating;	90%

: C17H15S2(1+)*BF4(1-)

: 129-00-0
pyrene

Conditions

Conditions	Yield
With potassium tert-butylate at -80℃;	90%
With potassium tert-butylate at -80℃; Mechanism; reaction with other sulfonium salt was investigated;	90%

: 24463-15-8
1-pyrenemethanol

: 129-00-0
pyrene

Conditions

Conditions	Yield
With oxygen; palladium diacetate; sodium carbonate at 130℃; for 36h; Molecular sieve; Schlenk technique;	88%

: 1732-26-9
4-bromopyrene

: 129-00-0
pyrene

Conditions

Conditions	Yield
With 4-methyl-morpholine; tetrahydroxydiboron; 5%-palladium/activated carbon In 1,2-dichloro-ethane at 50℃; for 3h;	86%

: 51744-98-0, 2319-97-3, 96290-39-0
[2.2]Metacyclophan

A: 129-00-0
pyrene

B: 6628-98-4
4,5-dihydropyrene

C: 781-17-9
4,5,9,10-tetrahydropyrene

D: 55775-16-1
1,2,3,3a,4,5,9,10-octahydropyrene

E: 5385-37-5
1,2,3,3a,4,5-hexahydropyrene

F: 53076-44-1, 55781-65-2, 55821-21-1, 102339-92-4, 126188-30-5
1,2,3,3a,4,5,9,10,10a,10b-decahydropyrene

Conditions

Conditions	Yield
With hydrogenchloride; aluminium trichloride In carbon disulfide Product distribution; Heating;	A 3% B n/a C n/a D 12% E 84% F 1%

...Expand

: 51744-98-0, 2319-97-3, 96290-39-0
[2.2]Metacyclophan

A: 129-00-0
pyrene

B: 55775-16-1
1,2,3,3a,4,5,9,10-octahydropyrene

C: 5385-37-5
1,2,3,3a,4,5-hexahydropyrene

D: 53076-44-1, 55781-65-2, 55821-21-1, 102339-92-4, 126188-30-5
1,2,3,3a,4,5,9,10,10a,10b-decahydropyrene

Conditions

Conditions	Yield
With hydrogenchloride; aluminium trichloride In carbon disulfide Heating;	A 3% B 12% C 84% D 1%

...Expand

: C20H12N2O

: 129-00-0
pyrene

Conditions

Conditions	Yield
With bis(1,5-cyclooctadiene)nickel (0); ethyl-diphenyl-phosphane In toluene at 130℃; for 24h; Inert atmosphere;	84%
With bis(1,5-cyclooctadiene)nickel (0); 1,1,3,3-Tetramethyldisiloxane; ethyl-diphenyl-phosphane In toluene at 130℃; Inert atmosphere;	84%

: 4,4,5,5-tetramethyl-2-(pyren-4-yl)-1,3,2-dioxaborolane

: 1246857-77-1
N-(2,6-diisopropylphenyl)-4,5-dibromonaphthalene-1,8-dicarboximide

A: 129-00-0
pyrene

B: C56H39NO2

Conditions

Conditions	Yield
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; caesium carbonate; bis(dibenzylideneacetone)-palladium(0) In water; toluene at 90℃; Suzuki-Miyaura Coupling;	A 76% B n/a

...Expand

: 129332-99-6
2,7-Di-tert-butyl-4-propyl-pyrene

A: 129-00-0
pyrene

B: 74869-50-4
4-propyl-pyrene

Conditions

Conditions	Yield
With Nafion-H In toluene for 24h; Heating;	A 8% B 72%

: (E)-5-styrylphenanthrene-4-carbaldehyde

: 129-00-0
pyrene

Conditions

Conditions	Yield
With iron(III) chloride In 1,2-dichloro-ethane at 20℃; for 0.5h; regioselective reaction;	70%

: diphenyl(1-pyrenyl)phosphorus oxide

A: 129-00-0
pyrene

B: diphenyl(pyren-2-yl)phosphine oxide

Conditions

Conditions	Yield
With aluminum (III) chloride; sodium chloride at 160℃; for 1h; Temperature; Schlenk technique; Inert atmosphere; regioselective reaction;	A 7% B 70%

: anti-8-fluoro-16-methyl-10-methylsulfanyl<22>metacyclophane-1-ene

A: 129-00-0
pyrene

B: 8-fluoro-16-methyl<22>metacyclophane

Conditions

Conditions	Yield
With W-7 Raney Nickel In ethanol for 14h; Heating;	A 19% B 63%

: 34244-14-9
1-chloropyrene

A: 129-00-0
pyrene

B: 6628-98-4
4,5-dihydropyrene

Conditions

Conditions	Yield
With sodium methylate In methanol for 3h; Irradiation;	A 57% B 31%

: 36323-28-1
α,α,α',α'-tetrabromo-m-xylene

: 129-00-0
pyrene

Conditions

Conditions	Yield
With magnesium at 600℃;	54%

: 1246857-77-1
N-(2,6-diisopropylphenyl)-4,5-dibromonaphthalene-1,8-dicarboximide

: 349666-24-6
1-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrene

A: 129-00-0
pyrene

B: C56H39NO2

C: N-(2,6-diisopropylphenyl)naphtho[8,1,2-bcd]perylene-9,10-dicarboximide

Conditions

Conditions	Yield
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; caesium carbonate; bis(dibenzylideneacetone)-palladium(0) In water; toluene at 90℃; Solvent; Reagent/catalyst; Suzuki-Miyaura Coupling;	A 50% B n/a C 50%

...Expand

: 193-85-1
azupyrene

: 129-00-0
pyrene

Conditions

Conditions	Yield
at 450 - 460℃; Mechanism; 5-6 h;	45%
at 500 - 510℃; under 0.0001 Torr; for 1h; Product distribution;	40%

: 1293326-45-0
2,6-bis[(trimethylsilyl)ethynyl]biphenyl

: 129-00-0
pyrene

Conditions

Conditions	Yield
With [(t-BuXPhos)Au]NTf2 In para-xylene at 150℃; for 24h;	42%
Multi-step reaction with 2 steps 1: potassium carbonate / methanol / 20 °C 2: [(t-BuXPhos)Au]NTf2 / 1,2-dichloro-ethane / 24 h / 80 °C View Scheme

: phenyldi(pyren-1-yl)phosphine oxide

A: 129-00-0
pyrene

B: phenyldi(pyren-2-yl)phosphine oxide

Conditions

Conditions	Yield
With aluminum (III) chloride; sodium chloride at 160℃; for 1h; Schlenk technique; Inert atmosphere; regioselective reaction;	A 35% B 12%

: 1293326-48-3
2,6-diethynylbiphenyl

: 129-00-0
pyrene

Conditions

Conditions	Yield
With [(t-BuXPhos)Au]NTf2 In 1,2-dichloro-ethane at 80℃; for 24h;	30%

: 61098-93-9
3-(1-pyrenyl)propionic acid

A: 129-00-0
pyrene

B: 191-33-3
6H-benzopyrene

C: 4558-16-1
5-oxo-5H-benzo[cd]pyrene

D: 3074-00-8
naphthanthrone

E: 6H-benzo[cd]pyren-6-ol

F: 7130-15-6
4,5-dihydro-3H-benzo[cd]pyrene

G: 82979-72-4
7,8-dihydro-9H-cyclopentapyrene

Conditions

Conditions	Yield
With polyphosphoric acid at 80℃; for 24h; Inert atmosphere;	A n/a B 26% C 30% D 29% E n/a F n/a G n/a

...Expand

: 157729-37-8
3-(4H-cyclopentaphenanthrylidene)-1,5-bis(trimethylsilyl)-1,4-pentadiyne

A: 129-00-0
pyrene

B: 192-97-2
benzo[e]pyrene

C: 203-64-5
4H-Cyclopenta[def]phenanthrene

D: 27208-37-3
cyclopenta[c,d]pyrene

E: 203-12-3
benzo[ghi]fluoranthene

F: 5821-51-2
Coarannulen

Conditions

Conditions	Yield
With hydrogen In gas at 900℃; Product distribution; electrically heated vertical laboratory tubular furnace;	A n/a B n/a C n/a D n/a E n/a F 15%

...Expand

: 157729-37-8
3-(4H-cyclopentaphenanthrylidene)-1,5-bis(trimethylsilyl)-1,4-pentadiyne

A: 129-00-0
pyrene

B: 192-97-2
benzo[e]pyrene

C: 27208-37-3
cyclopenta[c,d]pyrene

D: 5821-51-2
Coarannulen

Conditions

Conditions	Yield
With hydrogen In gas at 900℃; electrically heated vertical laboratory tubular furnace; Further byproducts given;	A n/a B n/a C n/a D 15%

...Expand

: 37496-00-7
4,5-epoxy-4,5-dihydro-pyrene

: 129-00-0
pyrene

Conditions

Conditions	Yield
With tetraphenylporphinatoiron(II)(pyridine)2 for 30h; Ambient temperature;	12%

: 1725-76-4
(E,E)-1,3-distyrylbenzene

A: 129-00-0
pyrene

B: 194-69-4
benzo[c]chrysene

C: 100603-86-9
(1α,2α,3β,4β)-1,3-Di-2-phenanthryl-2,4-diphenylcyclobutan

D: 100603-85-8
(1α,2α,3β,4β)-1,2-Di-2-phenanthryl-3,4-diphenylcyclobutan

E: 100758-80-3
3,4,12,13-Tetraphenylpentacyclo<13.3.1.16,10.02,5.011,14>eicosa-1(19),6,8,10(20),15,17-hexaen

F: 100603-84-7
3b,4,5,5a,8b,9,10,10a-Octahydro-4,5,9,10-tetraphenyldicyclobutapyren

G phenanthrene, stilbenes, cyclobutapyrene: phenanthrene, stilbenes, cyclobutapyrene

Conditions

Conditions	Yield
With iodine In benzene for 1.5h; Product distribution; Mechanism; Irradiation; further without I2, var. conc.;	A 3% B 7% C 7% D 7% E n/a F n/a G n/a

...Expand

: 129-00-0
pyrene

: 1714-29-0
1-bromopyrene

Conditions

Conditions	Yield
With N-Bromosuccinimide In dichloromethane for 2h;	100%
With hydrogen bromide; dihydrogen peroxide In methanol; diethyl ether; water at 15 - 20℃; for 12.25h;	96%
With N-Bromosuccinimide; dibenzoyl peroxide In N,N-dimethyl-formamide at 20℃;	96%

: 129-00-0
pyrene

: 75-36-5
acetyl chloride

: 3264-21-9
1-acetylpyrene

Conditions

Conditions	Yield
With aluminum (III) chloride In dichloromethane at 0 - 20℃; Friedel-Crafts Acylation; Inert atmosphere;	100%
With aluminum (III) chloride In 1,2-dichloro-ethane at 20℃; for 24h;	98.3%
With aluminum (III) chloride In dichloromethane at 25℃; for 0.5h;	98.4%

: 129-00-0
pyrene

: 507-20-0
tertiary butyl chloride

: 78751-62-9
2-(tert-butyl)pyrene

Conditions

Conditions	Yield
With aluminum (III) chloride In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere;	100%
With aluminum tri-bromide In carbon disulfide at 40℃; for 0.5h;	99%
aluminium trichloride In carbon disulfide Heating;	99%

: 129-00-0
pyrene

: 15949-84-5
11-bromoundecanoyl chloride

: 72185-41-2
11-bromo-1-(pyren-1-yl)undecan-1-one

Conditions

Conditions	Yield
Stage #1: 11-bromoundecanoyl chloride With aluminum (III) chloride In dichloromethane Stage #2: pyrene In dichloromethane at 0 - 20℃; for 16.5h;	100%
With aluminium trichloride In dichloromethane at 0℃; for 3h;	80%

: 129-00-0
pyrene

: (ethylenediamine palladium(II))6(2,4,6-tris(4-pyridyl)triazine)4(NO3)12

: 91-17-8
decalin

: [(Pd(H2NC2H4NH2))6((NC5H4)3C3N3)4](12+)*12NO3(1-)*C16H10*C10H18=[(Pd(C2H8N2))6((NC5H4)3C3N3)4](NO3)12(C10H18)(C16H10)

Conditions

Conditions	Yield
In water-d2 Pd complex was treated with decalin and pyrene in D2O at room temp.; NMR monitoring;	100%

...Expand

: 129-00-0
pyrene

: 83204-68-6
2,6-dibromo-1,4,5,8-naphthalenetetracarboxylic acid dianhydride

Conditions

Conditions	Yield
With sulfuric acid	100%

: 129-00-0
pyrene

: 4C28H16N2*4C18H8O4(2-)*8C10H14*8Ru(2+)*8CF3O3S(1-)*12H2O

: 2C28H16N2*2C18H8O4(2-)*4C10H14*4Ru(2+)*7C16H10*4CF3O3S(1-)

Conditions

Conditions	Yield
In methanol at 40℃; for 2h; Sealed tube;	100%

: 129-00-0
pyrene

: 21615-34-9
2-Methoxybenzoyl chloride

: (2-methoxyphenyl)pyren-1-ylmethanone

Conditions

Conditions	Yield
With aluminum (III) chloride at 20℃; for 6h;	100%
With aluminum (III) chloride In dichloromethane at 0 - 20℃; for 1.16667h;	95%

: 129-00-0
pyrene

: 4C6H2O4(2-)*4C14H8N4S2*8C10H15(1-)*8CF3O3S(1-)*8Rh(3+)

: C80H80N8O8Rh4S4(4+)*4CF3O3S(1-)*3C16H10

Conditions

Conditions	Yield
In methanol at 20℃; for 24h;	100%

: 129-00-0
pyrene

: 4C6H2O4(2-)*4C14H8N4S2*8C10H15(1-)*8CF3O3S(1-)*8Ir(3+)

: C80H80Ir4N8O8S4(4+)*4CF3O3S(1-)*3C16H10

Conditions

Conditions	Yield
In methanol at 20℃; for 24h;	100%

: 129-00-0
pyrene

: C80H80N8O8Rh4S4(4+)*4CF3O3S(1-)

: C80H80N8O8Rh4S4(4+)*4CF3O3S(1-)*3C16H10

Conditions

Conditions	Yield
In methanol at 20℃; for 24h;	100%

: 129-00-0
pyrene

: C80H80Ir4N8O8S4(4+)*4CF3O3S(1-)

: C80H80Ir4N8O8S4(4+)*4CF3O3S(1-)*3C16H10

Conditions

Conditions	Yield
In methanol at 20℃; for 24h;	100%

: 129-00-0
pyrene

: 73782-15-7
16-bromohexadecanoyl chloride,

: 16-bromo-1-(pyren-1-yl)-hexadecan-1-one

Conditions

Conditions	Yield
Stage #1: 16-bromohexadecanoyl chloride, With aluminum (III) chloride In dichloromethane at 0℃; for 1h; Stage #2: pyrene In dichloromethane at 0 - 20℃; for 16h;	100%

: 129-00-0
pyrene

: 5522-43-0
1-nitropyrene

Conditions

Conditions	Yield
With nitric acid; acetic acid at 60℃; for 0.5h; Inert atmosphere; regioselective reaction;	99%
With ammonium persulfate; sodium nitrite In acetonitrile for 21h; Ambient temperature;	98%
With dinitrogen tetraoxide In dichloromethane for 0.5h; Ambient temperature;	97%

: 129-00-0
pyrene

: 128-63-2
1,3,6,8-tetrabromopyrene

Conditions

Conditions	Yield
With bromine In nitrobenzene at 120℃; for 2h;	99%
With bromine In nitrobenzene at 120℃; for 14h;	98%
With bromine In nitrobenzene at 120℃; Inert atmosphere;	98%

: 129-00-0
pyrene

: 33553-93-4
2,4-dichloro-2,4-dimethylpentane

: 7,7,9,9-tetramethyl-8,9-dihydro-7H-cyclopentapyrene

Conditions

Conditions	Yield
aluminium trichloride In carbon disulfide for 1h; Heating;	99%

: 129-00-0
pyrene

: 507-20-0
tertiary butyl chloride

A: 24300-91-2
2,7-di-tertbutylpyrene

B: 78751-62-9
2-(tert-butyl)pyrene

Conditions

Conditions	Yield
aluminium trichloride In carbon disulfide for 1h; Mechanism; Heating; various solvents;	A n/a B 99%
With aluminium trichloride In dichloromethane for 3h; Ambient temperature;	A n/a B 63%
With aluminum (III) chloride In dichloromethane at 0℃; for 3h; Inert atmosphere;	A 11% B 40%
With aluminium trichloride In dichloromethane for 3h; Ambient temperature; Yields of byproduct given;

...Expand

: 129-00-0
pyrene

: 6223-78-5
2,5-dichloro-2,5-dimethyl hexane

: 7,7,10,10-tetramethyl-7,8,9,10-tetrahydrobenzopyrene

Conditions

Conditions	Yield
aluminium trichloride In carbon disulfide for 1h; Heating;	99%

: 129-00-0
pyrene

: samarocene

: {Sm(C5(CH3)5)2}2(C16H10)

Conditions

Conditions	Yield
In toluene under N2 or Ar; pyrene was added to the samarocene in toluene, stirred for 5 min; solvent was removed by rotary evapn.; elem. anal.;	99%

: 85-44-9
phthalic anhydride

: 129-00-0
pyrene

: 58926-23-1
1-(o-carboxybenzoyl)pyrene

Conditions

Conditions	Yield
Stage #1: phthalic anhydride; pyrene With aluminum (III) chloride In dichloromethane; water for 3h; Friedel-Crafts Acylation; Reflux; Inert atmosphere; Stage #2: With hydrogenchloride In dichloromethane; water Inert atmosphere;	98%
Stage #1: phthalic anhydride; pyrene With aluminum (III) chloride In dichloromethane for 3h; Inert atmosphere; Reflux; Stage #2: With acetic acid at 130℃; for 0.0833333h; Inert atmosphere;	87%
With aluminum (III) chloride In neat (no solvent) for 2h; Friedel-Crafts Acylation; Milling;	79%

: 129-00-0
pyrene

: C168H156N24Ru6(6+)*3CF3O3S(1-)

: 2C16H10*C168H156N24Ru6(6+)*(x)CF3O3S(1-)

Conditions

Conditions	Yield
In methanol at 20℃; for 2h; Inert atmosphere; Schlenk technique;	98%

: 129-00-0
pyrene

: 781-17-9
4,5,9,10-tetrahydropyrene

Conditions

Conditions	Yield
With hydrogen; 10percent Pd/C under 2327.23 Torr; for 144h;	97%
With palladium 10% on activated carbon; hydrogen In tetrahydrofuran; methanol at 90℃; under 7500.75 Torr; for 168h; Autoclave;	90%
Stage #1: pyrene With ethyl acetate at 20℃; for 48h; Inert atmosphere; Stage #2: With palladium 10% on activated carbon; hydrogen at 60℃; under 4500.45 Torr; for 48h; Inert atmosphere;	89%

: 129-00-0
pyrene

: 73183-34-3
bis(pinacol)diborane

: 4,4,5,5-tetramethyl-2-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyren-2-yl]-1,3,2-dioxaborolane

Conditions

Conditions	Yield
With dtbpy; (1,5-cyclooctadiene)(methoxy)iridium(I) dimer In cyclohexane at 80℃; for 16h;	97%
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine In tetrahydrofuran at 80℃; for 16h; Inert atmosphere; regiospecific reaction;	94%
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer In tetrahydrofuran for 12h; Inert atmosphere; Reflux;	94%

: 129-00-0
pyrene

: 73183-34-3
bis(pinacol)diborane

: 853377-11-4
4,4,5,5-tetramethyl-2-pyren-2-yl-[1, 3, 2]dioxaborolane

Conditions

Conditions	Yield
With catalyst:[Ir(OMe)COD]2/dtbpy In not given 2.2 molar equiv. of B2pin2, (Ir(OMe)COD)2 (5 mol%) + 4,4'-di-tert-butyl-2,2'-bipyridine (10 mol%); chromd. on silica pad (CH2Cl2); solvent removed (vac. 150°C); elem. anal.;	97%
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine In hexane at 80℃; for 16h; Inert atmosphere; regioselective reaction;	65%
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine In cyclohexene at 80℃; for 12h; Inert atmosphere;	65%

: 129-00-0
pyrene

: 507-20-0
tertiary butyl chloride

: 24300-91-2
2,7-di-tertbutylpyrene

Conditions

Conditions	Yield
With aluminum tri-bromide In carbon disulfide at 40℃; for 1h;	96%
With aluminum (III) chloride In dichloromethane at 5 - 20℃; for 4h;	92%
With aluminum (III) chloride In dichloromethane at 5 - 20℃; for 4.5h; Inert atmosphere;	92%

: 129-00-0
pyrene

: 4885-02-3
Dichloromethyl methyl ether

: 3029-19-4
pyrene-1-aldehyde

Conditions

Conditions	Yield
With titanium tetrachloride In dichloromethane at 0 - 20℃; for 2.5h;	96%
With titanium tetrachloride In dichloromethane at 0 - 20℃; for 3h; Inert atmosphere;	91%
With titanium tetrachloride In dichloromethane for 3h; Ambient temperature;	90%

: 129-00-0
pyrene

: 1718-52-1
pyrene-d10

Conditions

Conditions	Yield
With [mesitylenium]B(C6F5)4; benzene-d6 In benzene-d6 at 70℃; for 72h; Inert atmosphere;	96%
With d7-N,N-dimethylformamide; potassium tert-butylate at 170℃; for 1h; Microwave irradiation;	95%
With water-d2; hydrogen chloride at 250℃; for 50h;	89%

Pyrene Chemical Properties

Molecular Structure of Pyrene (CAS NO.135-48-8):

IUPAC Name: pyrene
Molecular Formula: C₁₆H₁₀
Molecular Weight: 202.25
EINECS: 204-927-3
Melting point: 148 °C
Storage temp: Approx 4°C
Form: crystalline
Water Solubility: almost insoluble
Merck: 14,7963
BRN: 1307225
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 0 Å²
Index of Refraction: 1.851
Molar Refractivity: 72.46 cm³
Molar Volume: 161.9 cm3
Surface Tension: 59.4 dyne/cm
Density: 1.248 g/cm³
Flash Point: 168.8 °C
Enthalpy of Vaporization: 62.99 kJ/mol
Boiling Point: 404 °C at 760 mmHg
Vapour Pressure: 2.28E-06 mmHg at 25°C
InChI
InChI=1/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
Smiles
c12c3c4ccc1cccc2ccc3ccc4
Product Categories: Aromatic Compounds; Organics; Pyrenes

Pyrene Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	514mg/kg (514mg/kg)		Progress in Mutation Research. Vol. 1, Pg. 682, 1981.
mouse	LD50	oral	800mg/kg (800mg/kg)	SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 15(2), Pg. 59, 1971.
rat	LC50	inhalation	170mg/m³(170mg/m³)	SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 15(2), Pg. 59, 1971.
rat	LD50	oral	2700mg/kg (2700mg/kg)	SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 15(2), Pg. 59, 1971.

Pyrene Consensus Reports

IARC Cancer Review: Group 3 IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 ,1987,p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal No Evidence IMEMDT IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 32 ,1983,p. 431.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . EPA Extremely Hazardous Substances List. Reported in EPA TSCA Inventory. EPA Genetic Toxicology Program.

Pyrene Safety Profile

Poison by inhalation. Moderately toxic by ingestion and intraperitoneal routes. A skin irritant. Questionable carcinogen with experimental tumorigenic data. Human mutation data reported. When heated to decomposition it emits acrid smoke and irritating fumes.
Hazard Codes: Dangerous N, Very T+, Toxic T, Flammable F, Harmful Xn
Risk Statements: 50/53-36/37/38-26-39/23/24/25-23/24/25-11-63-43-45-67-65-38
R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R36/37/38: Irritating to eyes, respiratory system and skin.
R26: Very toxic by inhalation.
R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.
R11: Highly flammable.
R63: Possible risk of harm to the unborn child.
R43: May cause sensitization by skin contact.
R45: May cause cancer.
R67: Vapours may cause drowsiness and dizziness.
R65: Harmful: may cause lung damage if swallowed.
R38: Irritating to skin.
Safety Statements: 60-61-45-36/37-28A-22-16-7-24/25-23-53-62
S60: This material and its container must be disposed of as hazardous waste.
S61: Avoid release to the environment. Refer to special instructions / safety data sheets.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S36/37: Wear suitable protective clothing and gloves.
S22: Do not breathe dust.
S16: Keep away from sources of ignition.
S7: Keep container tightly closed.
S24/25: Avoid contact with skin and eyes.
S23: Do not breathe vapour.
S53: Avoid exposure - obtain special instructions before use.
S62: If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.
RIDADR: UN 3077 9/PG 3
WGK Germany: 2
RTECS: UR2450000
HazardClass: 6.1(b)
PackingGroup: III

Pyrene Standards and Recommendations

OSHA PEL: TWA 0.2 mg/m³

Pyrene Analytical Methods

For occupational chemical analysis use OSHA: #ID-58 or NIOSH: Polynuclear Aromatic Hydrocarbons (HPLC), 5506; (GC), 5515.

Pyrene Specification

Pyrene , with CAS number of 135-48-8, can be called beta-Pyrene ; Benzo(def)phenanthrene . It is a pale yellow to yellow-greenish crystals or chunks. Pyrene (CAS NO.135-48-8) is a polycyclic aromatic hydrocarbon (PAH) consisting of four fused benzene rings. It has some synonyms like Benzo[def]phenanthrene;coaltarpitchvolatiles;beta-Pyrene,and so on.It's colourless solid. Pyrene is usually used to produce raw materials of 1,4,5,8 - naphthalene acid ,and it's also used as materials of dyes, synthetic resins and plastics.

Product Name

Pyrene

Synthetic route

Pyrene Chemical Properties

Pyrene Toxicity Data With Reference

Pyrene Consensus Reports

Pyrene Safety Profile

Pyrene Standards and Recommendations

Pyrene Analytical Methods

Pyrene Specification

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