Conditions | Yield |
---|---|
Au/X40S catalyst at 280℃; under 413.729 Torr; Product distribution / selectivity; Inert atmosphere; | 100% |
2-chloro-5-methylthiophene
2-Methylthiophene
Conditions | Yield |
---|---|
With palladium 10% on activated carbon; hydrogen; potassium hydroxide at 80℃; under 60006 Torr; for 24h; | 97.11% |
Conditions | Yield |
---|---|
Stage #1: 2-Chloromethylthiophene With lithium naphthalenide In tetrahydrofuran at 20℃; Inert atmosphere; Flow reactor; Stage #2: With methanol Inert atmosphere; Flow reactor; | 97% |
Conditions | Yield |
---|---|
X-3R2 catalyst at 280℃; under 413.729 Torr; Product distribution / selectivity; Inert atmosphere; | 91% |
Conditions | Yield |
---|---|
With potassium carbonate In chloroform at 20℃; for 24h; Irradiation; Inert atmosphere; | 87% |
In acetonitrile at 563.2℃; Kinetics; Further Variations:; Temperatures; Pyrolysis; |
thiophene
2-Methylthiophene
Conditions | Yield |
---|---|
77% |
Conditions | Yield |
---|---|
With potassium carbonate; tris-(o-tolyl)phosphine; copper(l) chloride; tris-(dibenzylideneacetone)dipalladium(0) In N,N-dimethyl-formamide at 60℃; for 0.0833333h; | 73% |
With tris-(dibenzylideneacetone)dipalladium(0); cesium fluoride; tris-(o-tolyl)phosphine; copper(I) bromide In 1-methyl-pyrrolidin-2-one at 60℃; for 0.0833333h; Inert atmosphere; | 94 %Chromat. |
Conditions | Yield |
---|---|
With Lawessons reagent In toluene at 20 - 110℃; for 3.5h; Concentration; Time; | A 6% B 66% |
Conditions | Yield |
---|---|
With (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; caesium carbonate In N,N-dimethyl acetamide at 20℃; for 16h; Irradiation; Inert atmosphere; | A 21 %Chromat. B 61% |
Conditions | Yield |
---|---|
With hydrogenchloride; hydrogen sulfide In water at 50 - 60℃; for 2h; Substitution; | 60% |
With hydrogenchloride; hydrogen sulfide at 50 - 60℃; Product distribution; other solvents (methanol, ethylene glycol, acetic acid); other acid catalysts (perchloric acid, hydrochloric acid, trifluoroacetic acid), other temperatures; | 5% |
With hydrogenchloride; hydrogen sulfide at 50 - 60℃; | 5% |
With hydrogen sulfide; RbNaY zeolite at 349.9℃; under 760 Torr; Product distribution; Mechanism; other catalysts (LiNaY, NaY, KNaY CsNaY zeolites); | |
With aluminum oxide; hydrogen sulfide at 350℃; |
Conditions | Yield |
---|---|
With chlorocarbonylbis(triphenylphosphine)iridium(I); hydrazine hydrate; potassium hydroxide In methanol at 160℃; for 3h; Wolff-Kishner Reduction; Sealed tube; | 55% |
With chlorocarbonylbis(triphenylphosphine)iridium(I); hydrazine hydrate; potassium hydroxide In methanol at 160℃; for 3h; Sealed tube; | 55% |
With carbon monoxide; hydrogen; cobalt(II) acetate |
Conditions | Yield |
---|---|
With n-butyllithium In tetrahydrofuran at -78℃; | 51% |
With ammonia; sodium amide | |
Stage #1: thiophene With n-butyllithium In tetrahydrofuran at -20℃; for 0.5h; Stage #2: methyl iodide In tetrahydrofuran at 0℃; for 1h; |
2-iodo-5-methylthiophene
2,2,2-trifluoroethanol
benzene
A
2-Methylthiophene
B
2-methyl-5-phenylthiophene
C
2-(2,2,2-trifluoroethoxy)thiophene
Conditions | Yield |
---|---|
With caesium carbonate for 6h; Inert atmosphere; Irradiation; | A 25 %Chromat. B 48% C < 5 %Spectr. |
Conditions | Yield |
---|---|
With caesium carbonate In 2,2,2-trifluoroethanol for 6h; Inert atmosphere; Irradiation; | A 16 %Chromat. B 44% |
Conditions | Yield |
---|---|
With iodine at 150℃; for 23h; Inert atmosphere; Sealed tube; | A 37% B 42% |
Conditions | Yield |
---|---|
With hydrogen sulfide; AlCrK at 490 - 510℃; Cyclization; Dehydrocyclization; | 41% |
2-(dichloromethyl)thiophene
A
2-Methylthiophene
B
benzo[1,2-b;4,3-b']dithiophene
C
(E)-1,2-bis(2-thienyl)ethene
Conditions | Yield |
---|---|
With magnesium at 600℃; Pyrolysis; | A 10% B 6% C 39% |
Conditions | Yield |
---|---|
With caesium carbonate In 2,2,2-trifluoroethanol for 6h; Inert atmosphere; Irradiation; | A 18 %Chromat. B 37% |
thiophen-2-yl-methyl benzoate
A
thiophene
B
2-Methylthiophene
C
thiophene-2-carbaldehyde
D
1,2-bis(thiophen-2-yl)ethane
E
benzoic acid
F
benzene
Conditions | Yield |
---|---|
at 700℃; under 0.1 Torr; Product distribution; Mechanism; other thenyl derivatives, various temperatures; | A 2% B 1.6% C 0.8% D 8.4% E 34.7% F 11.9% |
bis-(1-propenyl) sulfide
A
thiophene
B
2-Methylthiophene
C
2-ethylthiophene
D
3-Methylthiophene
Conditions | Yield |
---|---|
at 500 - 520℃; pyrolysis at atmospheric pressure in a nitrogen stream; Further byproducts given; | A 32% B n/a C 25% D n/a |
2-thiophenemethanol
A
2-Methylthiophene
B
thiophene-2-carbaldehyde
C
2-thiophenylcarboxylic acid
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; manganese(II) acetate; trifluoroacetic acid In acetonitrile at 80℃; under 15001.5 Torr; for 15h; Mechanism; chemoselective reaction; | A 7% B n/a C 21% |
(E)-1-(thiophen-2-yl)propan-2-one oxime
A
thiophene
B
2-Methylthiophene
C
1,2-bis(thiophen-2-yl)ethane
D
acetonitrile
Conditions | Yield |
---|---|
at 800℃; under 0.001 - 0.01 Torr; approximate contact time: 0.002-0.03 s;; | A 10% B 15% C 19% D n/a |
thiophene
Dimethyldisulphide
A
2-Methylthiophene
B
2,3,4-trimethylthiophene
C
2,5-DIMETHYLTHIOPHENE
Conditions | Yield |
---|---|
With zeolite HZSM-5 at 300℃; under 760.051 Torr; for 0.00236111h; Time; Flow reactor; | A 19% B 18% C 12% |
With HZSM-5 zeolite (SiO2/Al2O3 = 34) at 300℃; under 760.051 Torr; for 2h; Catalytic behavior; Temperature; Flow reactor; Gas phase; Inert atmosphere; |
carbon monoxide
2-thiophenemethanol
A
2-Methylthiophene
B
Thiophene-2-acetic acid
Conditions | Yield |
---|---|
With hydrogen iodide; tetrakis(triphenylphosphine) palladium(0) In acetone at 90℃; under 68400 Torr; for 42h; Carbonylation; reduction; | A 12% B 18% |
thiophene
Dimethyldisulphide
A
2-Methylthiophene
B
2-(methylsulfanyl)thiophene
C
2,5-bis(methylsulfanyl)thiophene
Conditions | Yield |
---|---|
With highly siliceous zeolite HZSM-5 in a hydrogen form (SiO2/Al2O3 = 34) (Ssp 500 m2/g) at 180℃; for 0.00388889h; | A 6% B 17% C 11% |
With HZSM-5 zeolite (SiO2/Al2O3 = 34) at 180℃; under 760.051 Torr; for 2h; Flow reactor; Gas phase; Inert atmosphere; |
thiophene
Dimethyldisulphide
A
2-Methylthiophene
B
2,3,4-trimethylthiophene
Conditions | Yield |
---|---|
With zeolite HZSM-5 at 300℃; under 760.051 Torr; for 0.000333333h; Time; Flow reactor; | A 14% B 10% |
With HZSM-5 zeolite (SiO2/Al2O3 = 34) at 350℃; under 760.051 Torr; for 2h; Catalytic behavior; Temperature; Flow reactor; Gas phase; Inert atmosphere; |
Divinyl sulfone
A
thiophene
B
2-Methylthiophene
C
3-Methylthiophene
D
toluene
E
Benzo[b]thiophene
F
benzene
Conditions | Yield |
---|---|
With hydrogen sulfide at 580℃; thermal transformations of divinyl sulfone; further gaseous medium; | A 12% B 1.1% C 3% D 3.6% E 0.4% F 11% |
Conditions | Yield |
---|---|
With zeolite HZSM-5 at 300℃; under 760.051 Torr; for 0.000166667h; Flow reactor; | 7% |
With HZSM-5 zeolite (SiO2/Al2O3 = 34) at 300℃; under 760.051 Torr; for 2h; Catalytic behavior; Reagent/catalyst; Temperature; Flow reactor; Gas phase; Inert atmosphere; |
Conditions | Yield |
---|---|
With diethyl ether; sodium |
2-Methylthiophene
acetaldehyde
2-methyl-5-(1-(5-methylthiophen-2-yl)ethyl)thiophene
Conditions | Yield |
---|---|
With ion-exchange resin Lewatit SPC 108 (acid form) In 1,4-dioxane; water at 20℃; for 1.5h; | 100% |
2-Methylthiophene
1-(p-methoxyphenyl)-3-(phenylsulfanyl)propargyl alcohol
5-methyl-2-[1-(p-anisyl)-3-(phenylsulfanyl)prop-2-ynyl]thiophene
Conditions | Yield |
---|---|
With scandium tris(trifluoromethanesulfonate) In N,N-dimethyl-formamide at 20℃; for 72h; Friedel-Crafts alkylation; regioselective reaction; | 100% |
2-Methylthiophene
monomethyl oxalyl chloride
(5-methyl-thiophen-2-yl)-oxo-acetic acid methyl ester
Conditions | Yield |
---|---|
Stage #1: 2-Methylthiophene; monomethyl oxalyl chloride With aluminum (III) chloride In dichloromethane at 0 - 20℃; Inert atmosphere; Stage #2: With water In dichloromethane at 0℃; | 100% |
2-Methylthiophene
Tiglic acid
2,4,5-trimethyl-4,5-dihydro-6H-cyclopenta[b]thiophen-6-one
Conditions | Yield |
---|---|
With polyphosphoric acid Inert atmosphere; | 100% |
With polyphosphoric acid In dichloromethane at 50℃; for 4.5h; Schlenk technique; Inert atmosphere; | 82% |
2-Methylthiophene
acrylic acid methyl ester
Conditions | Yield |
---|---|
With 3-methyl-2-(phenylthio)butanoic acid; silver(I) acetate; palladium diacetate In ethyl acetate at 60℃; for 6h; Sealed tube; | 100% |
With 2-thienyl chloride; tetrafluoroboric acid diethyl ether; sodium 3-{(4-methoxyphenyl)thio}propane-1-sulfonate; palladium diacetate; acetic acid; hydroquinone at 60℃; for 12h; Reagent/catalyst; |
2-Methylthiophene
3,5-dibromo-2-methylthiophene
Conditions | Yield |
---|---|
With bromine; acetic acid at 20℃; | 99.7% |
With N-Bromosuccinimide; acetic acid In chloroform at 20℃; for 17h; | 98% |
With N-Bromosuccinimide; acetic acid at 20℃; for 2h; | 94% |
2-Methylthiophene
N,N-dimethyl-formamide
5-methylthiophene-2-carboxaldehyde
Conditions | Yield |
---|---|
Stage #1: 2-Methylthiophene With ethylmagnesium chloride; N-cyclohexyl-cyclohexanamine In tetrahydrofuran at 60℃; for 24h; Inert atmosphere; Stage #2: N,N-dimethyl-formamide In tetrahydrofuran at 20℃; for 1h; | 99% |
With trichlorophosphate at 20℃; | 92% |
Stage #1: 2-Methylthiophene; N,N-dimethyl-formamide With trichlorophosphate at 0 - 35℃; for 18h; Stage #2: With sodium hydroxide; water In diethyl ether pH=11; | 80.2% |
Conditions | Yield |
---|---|
With gold(III) chloride In nitromethane Friedel Crafts alkylation; Inert atmosphere; optical yield given as %de; diastereoselective reaction; | 99% |
2-Methylthiophene
1-(4-chlorophenyl)-3-(phenylsulfanyl)prop-2-yn-1-ol
2-[1-(p-chlorophenyl)-3-(phenylsulfanyl)prop-2-ynyl]-5-methyl-thiophene
Conditions | Yield |
---|---|
With scandium tris(trifluoromethanesulfonate) In nitromethane at 0℃; Friedel-Crafts alkylation; regioselective reaction; | 99% |
2-Methylthiophene
1-phenyl-3-(phenylsulfanyl)prop-2-yn-1-ol
5-methyl-2-[1'-phenyl-3'-(phenylsulfanyl)prop-2'-ynyl]thiophene
Conditions | Yield |
---|---|
With scandium tris(trifluoromethanesulfonate) In nitromethane at 20℃; for 1h; Friedel-Crafts alkylation; regioselective reaction; | 99% |
With scandium tris(trifluoromethanesulfonate) In nitromethane at 20℃; for 1h; | 99% |
2-Methylthiophene
para-chlorotoluene
2-methyl-5-(4-methylphenyl)thiophene
Conditions | Yield |
---|---|
Stage #1: 2-Methylthiophene With ethylmagnesium chloride; N-cyclohexyl-cyclohexanamine In tetrahydrofuran at 60℃; for 24h; Stage #2: para-chlorotoluene With dichloro-[1,3-bis(2,6-diisopropylpenyl)-2-imidazolidinyliden]-(3-chloropyridyl)palladium(II) In tetrahydrofuran at 60℃; for 24h; | 99% |
With C36H50Cl2N3OPPd; potassium tert-butylate; Trimethylacetic acid In N,N-dimethyl acetamide at 110℃; for 12h; Reagent/catalyst; Solvent; | 92% |
With bis(tri-t-butylphosphine)palladium(0); lithium tert-butoxide In N,N-dimethyl-formamide at 100℃; for 15h; Inert atmosphere; regioselective reaction; | 88% |
With NHC-Pd(II)-Im; potassium tert-butylate; copper(II) oxide In tetrahydrofuran at 130℃; for 12h; Inert atmosphere; Sealed tube; | 69% |
2-Methylthiophene
para-bromotoluene
2-methyl-5-(4-methylphenyl)thiophene
Conditions | Yield |
---|---|
Stage #1: 2-Methylthiophene With ethylmagnesium chloride; N-cyclohexyl-cyclohexanamine In tetrahydrofuran at 60℃; for 24h; Stage #2: para-bromotoluene With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride In tetrahydrofuran at 20℃; for 24h; | 99% |
With C40H36N2O2Pd(2+)*2C2H4O2; potassium carbonate; Trimethylacetic acid In N,N-dimethyl acetamide at 100℃; for 24h; Inert atmosphere; Schlenk technique; regioselective reaction; | 92% |
With (3-phenylallyl)(chloro)-[1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II); potassium carbonate; trimethylpyruvic acid In N,N-dimethyl acetamide at 140℃; for 16h; | 90% |
2-Methylthiophene
1-Bromonaphthalene
2-methyl-5-(naphthalen-1-yl)thiophene
Conditions | Yield |
---|---|
With {N,N-(1,2-diphenylethane-1,2-diylidene)bis(2-benzhydryl-4,6-dimthylaniline)}dichloropalladium; potassium carbonate; Trimethylacetic acid In N,N-dimethyl acetamide at 130℃; for 12h; Catalytic behavior; | 99% |
With C40H36N2O2Pd(2+)*2C2H4O2; potassium carbonate; Trimethylacetic acid In N,N-dimethyl acetamide at 100℃; for 24h; Inert atmosphere; Schlenk technique; regioselective reaction; | 91% |
With C32H33Cl2NOPd; potassium carbonate; Trimethylacetic acid In N,N-dimethyl acetamide at 130℃; for 4h; | 86% |
With [PdCl(C3H5)(dppb)]; potassium acetate at 150℃; for 24h; Inert atmosphere; | 20% |
2-Methylthiophene
α-Hydroxy-4-methoxy-α-phenylbenzeneacetic acid methyl ester
Conditions | Yield |
---|---|
With perchloric acid In 1,2-dichloro-ethane at 60℃; for 3h; Reagent/catalyst; Concentration; Time; Solvent; Friedel-Crafts Alkylation; | 99% |
2-Methylthiophene
2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-methylthiophene
Conditions | Yield |
---|---|
Stage #1: 2-Methylthiophene With n-butyllithium In tetrahydrofuran; hexane at -78 - 20℃; for 2h; Inert atmosphere; Schlenk technique; Stage #2: 2-Isopropoxy-4,4,5,5-tetramethyl-1,3,2-dioxaborolane In tetrahydrofuran; hexane at -78 - 20℃; for 8h; Inert atmosphere; Schlenk technique; | 99% |
Conditions | Yield |
---|---|
With C19H10F12S In 1,2-dichloro-ethane at 20℃; for 24h; Inert atmosphere; Molecular sieve; | 99% |
2-Methylthiophene
p-cyanobenzenesulfonyl chloride
Conditions | Yield |
---|---|
With bis(benzonitrile)palladium(II) dichloride; tributylphosphine; 25,26,27,28-tetrakis(hydroxy)calix[4]arene; sodium carbonate In 1,4-dioxane at 105℃; for 22h; Reagent/catalyst; Solvent; Inert atmosphere; | 98.6% |
With dichloro bis(acetonitrile) palladium(II); lithium carbonate In 1,4-dioxane at 140℃; for 40h; Schlenk technique; regioselective reaction; | 71% |
Conditions | Yield |
---|---|
With bis(benzonitrile)palladium(II) dichloride; tributylphosphine; 25,26,27,28-tetrakis(hydroxy)calix[4]arene; sodium carbonate In 1,4-dioxane at 95℃; for 24h; Reagent/catalyst; Solvent; Inert atmosphere; | 98.5% |
With dichloro bis(acetonitrile) palladium(II); lithium carbonate at 140℃; for 40h; Inert atmosphere; Schlenk technique; Green chemistry; regioselective reaction; | 89% |
With dichloro bis(acetonitrile) palladium(II); lithium carbonate In 1,4-dioxane at 140℃; for 40h; Schlenk technique; regioselective reaction; | 78% |
Conditions | Yield |
---|---|
With ion-exchange resin Lewatit SPC 108 (acid form) In 1,4-dioxane; water at 60℃; for 2h; | 98% |
With hydrogenchloride; zinc(II) chloride In water at -7 - 0℃; for 1h; | 25% |
With hydrogenchloride | |
With hydrogenchloride |
Conditions | Yield |
---|---|
With aluminum (III) chloride In dichloromethane at 0℃; for 1.5h; | 98% |
With InIII-based[In(OTf)3] Polymeric Sulfonic Acid Catalyst In nitromethane for 0.166667h; Friedel-Crafts Acylation; Schlenk technique; Reflux; | 94% |
With MoO4(AlCl2)2 In neat (no solvent) at 20℃; for 18h; Friedel-Crafts Acylation; Green chemistry; | 76% |
2-Methylthiophene
2-thenyl bromide
Conditions | Yield |
---|---|
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane Inert atmosphere; Reflux; | 98% |
With N-Bromosuccinimide; dibenzoyl peroxide In chloroform at 20 - 70℃; | 98% |
With N-Bromosuccinimide; dibenzoyl peroxide In tetrachloromethane for 1h; Reflux; | 78% |
Conditions | Yield |
---|---|
With tributyl borane; Pd2(methyl)2(μ-OH)(μ-N,N'-bis[2-(diphenylphosphino)phenyl]formamidinate) In tetrahydrofuran; cyclohexane at 100℃; for 17h; | 98% |
2-Methylthiophene
1-Bromo-4-fluorobenzene
2-(4-fluorophenyl)-5-methylthiophene
Conditions | Yield |
---|---|
Stage #1: 2-Methylthiophene With ethylmagnesium chloride; N-cyclohexyl-cyclohexanamine In tetrahydrofuran at 60℃; for 24h; Stage #2: 1-Bromo-4-fluorobenzene With 1,2-bis(diphenylphosphino)ethane nickel(II) chloride In tetrahydrofuran at 20℃; for 24h; | 98% |
With potassium acetate; palladium diacetate In N,N-dimethyl acetamide at 150℃; for 20h; Heck reaction; Inert atmosphere; | 87% |
With C40H36N2O2Pd(2+)*2C2H4O2; potassium carbonate; Trimethylacetic acid In N,N-dimethyl acetamide at 100℃; for 24h; Inert atmosphere; Schlenk technique; regioselective reaction; | 85% |
With palladium diacetate; potassium carbonate; tricyclohexylphosphine; Trimethylacetic acid at 100℃; for 16h; Inert atmosphere; | 70% |
With (3-phenylallyl)(chloro)-[1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazol-2-ylidene]palladium(II); potassium carbonate; trimethylpyruvic acid In N,N-dimethyl acetamide at 140℃; for 16h; | 57% |
2-Methylthiophene
(3-(trifluoromethyl)phenyl)-λ3-iodanediyl diacetate
(5-methyl-2-thienyl)[3-(trifluoromethyl)phenyl]iodonium tosylate
Conditions | Yield |
---|---|
Stage #1: (3-(trifluoromethyl)phenyl)-λ3-iodanediyl diacetate With water; toluene-4-sulfonic acid In acetonitrile Stage #2: 2-Methylthiophene In chloroform; acetonitrile for 3h; Reflux; regiospecific reaction; | 98% |
2-Methylthiophene
lithium 5-methylthiophene-2-sulfinate
Conditions | Yield |
---|---|
Stage #1: 2-Methylthiophene With tert.-butyl lithium In diethyl ether at -78℃; Inert atmosphere; Stage #2: With sulfur dioxide In diethyl ether at -78 - 23℃; | 98% |
Stage #1: 2-Methylthiophene With tert.-butyl lithium In diethyl ether at -78℃; for 2.08333h; Inert atmosphere; Stage #2: With sulfur dioxide at -78 - 23℃; Inert atmosphere; | |
Stage #1: 2-Methylthiophene With n-butyllithium In diethyl ether at -78℃; for 2h; Inert atmosphere; Stage #2: With sulfur dioxide In diethyl ether at 23℃; for 1h; Inert atmosphere; |
Conditions | Yield |
---|---|
With {N,N-(1,2-diphenylethane-1,2-diylidene)bis(2-benzhydryl-4,6-dimthylaniline)}dichloropalladium; potassium carbonate; Trimethylacetic acid In N,N-dimethyl acetamide at 130℃; for 12h; Catalytic behavior; | 98% |
With C40H36N2O2Pd(2+)*2C2H4O2; potassium carbonate; Trimethylacetic acid In N,N-dimethyl acetamide at 100℃; for 24h; Inert atmosphere; Schlenk technique; regioselective reaction; | 85% |
2-Methylthiophene
acrylic acid
(E)-3-(5-methyl-2-thienyl)-2-propenoic acid
Conditions | Yield |
---|---|
With p-benzoquinone In acetic acid; dimethyl sulfoxide at 60℃; for 10h; | 98% |
2-Methylthiophene
bromomethylphenylsulfone
Conditions | Yield |
---|---|
With tris[2-phenylpyridinato-C2,N]iridium(III); lithium carbonate In dimethyl sulfoxide at 20℃; for 48h; Inert atmosphere; Irradiation; | 98% |
Conditions | Yield |
---|---|
With oxygen In acetone for 5h; Irradiation; | 98% |
Product Name: 2-Methylthiophene (CAS NO.554-14-3)
Molecular formula:C5H6S
Molar mass: 98.17 g/mol
State: white to light yellow crystal powde
Flash Point: 45 °F
Melting point: -63 °C(lit.)
Boiling Point: 113 °C at 760 mmHg
Vapour Pressure: 47.6 mm Hg ( 37.7 °C)
Density: 1.014 g/mL at 25 °C(lit.)
Solubility: immiscible
Storage temp: Flammables area
Index of Refraction: 1.531
Molar Refractivity: 29.46 cm3
Molar Volume: 95.1 cm3
XLogP3-AA: 2.3
H-Bond Donor: 0
H-Bond Acceptor: 0
Structure Descriptors of 2-Methylthiophene (CAS NO.554-14-3):
Product Categories:
IUPAC Name: 2-methylthiophene
Canonical SMILES: CC1=CC=CS1
InChI: InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKey: XQQBUAPQHNYYRS-UHFFFAOYSA-NThiophenes; Heterocycles; Thiophene&Benzothiophene; thiophene Flavor; Chemistry; Building Blocks; Heterocyclic Building Blocks
By adding The carbon tetrachloride, o-nitro-toluene and azobisisobutyronitrile in aqueous solution into reaction tank, stirring heated, dropping bromine in carbon tetrachloride solution, then keep dropping back to finish and continue to return for 5-6h, at last ,bromide o-nitro benzyl bromide is generated.
1. | orl-rat LD50:3200 mg/kg | 85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,87. | ||
2. | ipr-rat LD50:1 g/kg | 85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,87. | ||
3. | orl-mus LD50:1460 mg/kg | 85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,87. | ||
4. | ihl-mus LC50:11,500 mg/m3/2H | 85GMAT Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure Izmerov, N.F., et al.,Moscow, USSR.: Centre of International Projects, GKNT,1982,87. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion. Mildly toxic by inhalation. A very dangerous fire hazard when exposed to heat or flame. Ignites on contact with nitric acid. When heated to decomposition it emits toxic fumes of SOx. See also SULFIDES.
Safety Information of 2-Methylthiophene (CAS NO.554-14-3):
Hazard Codes: F,Xn,Xi
Risk Statements:
11: Highly Flammable
22: Harmful if swallowed
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
7: Keep container tightly closed
9: Keep container in a well-ventilated place
16: Keep away from sources of ignition - No smoking
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
33: Take precautionary measures against static discharges
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
2-Methylthiophene , its CAS NO. is 554-14-3, the synonyms are alpha-Methylthiophene ; Thiophene, 2-methyl- .
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