Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0) In N,N,N,N,N,N-hexamethylphosphoric triamide for 6h; | 100% |
With [Pd(triphenylphosphine)(allyl)(chloride)] In N,N,N,N,N,N-hexamethylphosphoric triamide at 20℃; for 5h; | 96 % Chromat. |
Conditions | Yield |
---|---|
With bis(η3-allyl-μ-chloropalladium(II)) In tetrahydrofuran; diethyl ether at 25℃; for 3h; | 100% |
Conditions | Yield |
---|---|
With bis(η3-allyl-μ-chloropalladium(II)) In tetrahydrofuran; diethyl ether at 25℃; for 1.5h; | 100% |
Conditions | Yield |
---|---|
tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran Ar atmosphere; stirring (20°C, 5 mole-% catalyst, 3.5 h); | A 100% B 0% C n/a |
bis(η3-allyl-μ-chloropalladium(II)) In tetrahydrofuran Ar atmosphere; stirring (20°C, 5 mole-% catalyst, 3 h); | A 55% B 40% C n/a |
Allyl acetate
phenylzinc chloride
A
allylbenzene
B
biphenyl
C
zinc diacetate
Conditions | Yield |
---|---|
tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran Ar atmosphere; stirring (20°C, 5 mole-% catalyst, 5 h); | A 100% B 0% C n/a |
C14H15NSe
cyclohexene
A
allylbenzene
B
cyclohexane-1,2-epoxide
Conditions | Yield |
---|---|
With 3-chloro-benzenecarboperoxoic acid In chloroform-d1 at 20℃; | A 100% B 100% |
Conditions | Yield |
---|---|
With tetrabutylammonium tetrafluoroborate In N,N-dimethyl-formamide Electrochemical reaction; Inert atmosphere; | A 1% B 99% |
Conditions | Yield |
---|---|
Stage #1: bromobenzene With iodine; magnesium In diethyl ether Inert atmosphere; Reflux; Stage #2: allyl bromide In diethyl ether at 0 - 20℃; for 2.08333h; Inert atmosphere; | 99% |
Stage #1: bromobenzene With magnesium In tetrahydrofuran Stage #2: allyl bromide In tetrahydrofuran Stage #3: With ammonium chloride In water | |
With magnesium In tetrahydrofuran at 20℃; | |
Stage #1: bromobenzene With iodine; magnesium In tetrahydrofuran at 20℃; Stage #2: allyl bromide In tetrahydrofuran for 1h; |
propargyl benzene
allylbenzene
Conditions | Yield |
---|---|
With hydrogen In toluene at 20℃; under 38002.6 Torr; for 12h; Autoclave; chemoselective reaction; | 99% |
With hydrogen In ethanol at 20℃; under 760.051 Torr; for 3h; | 96% |
With hydrogen In acetonitrile at 120℃; under 22502.3 Torr; for 15h; Autoclave; Sealed tube; | 72% |
Conditions | Yield |
---|---|
Cu(acac)2-PPh3 In tetrahydrofuran at 40℃; for 4h; | 98% |
Cu(acac)2-PPh3 In tetrahydrofuran at 40℃; for 4h; Product distribution; effects of solvent, catalyst and catalyst activator; further solvents, further catalysts; |
Allyl acetate
diphenylmagnesium
A
allylbenzene
B
1,1-diphenylethanol
Conditions | Yield |
---|---|
With copper acetylacetonate; triphenylphosphine In tetrahydrofuran at 40℃; for 4h; | A 98% B n/a |
With copper acetylacetonate; triphenylphosphine In tetrahydrofuran at 40℃; for 4h; Product distribution; effect of catalysts, activator ligands, solvents on yield; effect of variation of ester residue in the allyl ester partner; reactions between further dialkyl- and diarylmagnesiums and allyl esters; | A 98% B n/a |
Conditions | Yield |
---|---|
With 2C2H3O2(1-)*Pd(2+)*3Na(1+)*C18H12O9PS3(3-); potassium tert-butylate; glycerol at 100℃; for 2h; Suzuki-Miyaura Coupling; Schlenk technique; Inert atmosphere; | 98% |
With potassium tert-butylate; (1,3-di(2,4,6-(CH3)3-C6H2)-imidazol-2-ylidene)Pd(OAc)2 In isopropyl alcohol at 20℃; for 2h; Suzuki-Miyaura coupling; | 93% |
With tris-(dibenzylideneacetone)dipalladium(0); potassium carbonate In toluene at 110℃; for 15h; Suzuki-Miyaura coupling; Inert atmosphere; | 90% |
allyl phenyl ether
phenylzinc chloride
A
allylbenzene
B
biphenyl
Conditions | Yield |
---|---|
tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran Ar atmosphere; stirring (20°C, 5 mole-% catalyst, 8 h); | A 98% B 0% C n/a |
Conditions | Yield |
---|---|
With C11H22P(1+)*Br(1-); lithium tri-t-butoxyaluminum hydride In tetrahydrofuran; dodecane; toluene at 90℃; for 16h; Reagent/catalyst; regioselective reaction; | 96% |
With hydrogenchloride; indium 1.) DMF, 1 h, RT, 2.) 1 min; Yield given. Multistep reaction; |
2-(tosyloxy)dodecane
allylbenzene
Conditions | Yield |
---|---|
With Pd(P(t-Bu)2Me)2; potassium tert-butylate; N-cyclohexyl-cyclohexanamine In 1,4-dioxane at 80℃; for 8h; Inert atmosphere; | 96% |
Conditions | Yield |
---|---|
bis(η3-allyl-μ-chloropalladium(II)) In N,N-dimethyl-formamide at 70℃; | 95% |
With bis(η3-allyl-μ-chloropalladium(II)) In N,N-dimethyl-formamide at 70℃; for 3h; | 95% |
carbon monoxide
(2E)-3-phenylprop-2-en-1-yl formate
A
allylbenzene
B
1-phenylpropene
C
trans-styrylacetic acid
Conditions | Yield |
---|---|
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; triphenylphosphine In toluene at 60℃; under 45600 Torr; for 15h; | A 1% B 1% C 95% |
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; triphenylphosphine In toluene under 15200 Torr; for 96h; Product distribution; Ambient temperature; other reagents, other solvents, var. temp., pressure, time; |
allylbenzene
Conditions | Yield |
---|---|
Cu(acac)2-PPh3 In tetrahydrofuran | 95% |
Conditions | Yield |
---|---|
With 2C2H3O2(1-)*Pd(2+)*3Na(1+)*C18H12O9PS3(3-); potassium tert-butylate; glycerol at 100℃; for 12h; Suzuki-Miyaura Coupling; Schlenk technique; Inert atmosphere; | 95% |
With potassium tert-butylate; (1,3-di(2,4,6-(CH3)3-C6H2)-imidazol-2-ylidene)Pd(OAc)2 In isopropyl alcohol at 20℃; for 0.5h; Suzuki-Miyaura coupling; | 72% |
With potassium tert-butylate In isopropyl alcohol at 50℃; for 12h; Inert atmosphere; | 71% |
With potassium hydroxide; phenone oxime-derived palladacycle; tetrabutylammomium bromide In water; acetone at 20℃; for 2h; Suzuki coupling; | 69% |
With dichloro(N-(diphenylphosphino)-N-isopropyl-1,1-diphenylphosphinamine) digold(I); caesium carbonate In acetonitrile at 80℃; for 18h; Temperature; chemoselective reaction; | 21 %Spectr. |
Conditions | Yield |
---|---|
With dichloro bis(acetonitrile) palladium(II); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In tetrahydrofuran at 20℃; for 14h; Kumada-Corriu reaction; Inert atmosphere; | 95% |
Stage #1: vinyl magnesium bromide With indium(III) chloride In tetrahydrofuran Stage #2: benzyl bromide With tetrakis(triphenylphosphine) palladium(0) In tetrahydrofuran Heating; | 82% |
trimethyl(phenyl)stannane
allyl bromide
A
allylbenzene
B
trimethyltin bromide
Conditions | Yield |
---|---|
With ((π-C3H5)PdCl)2 In N,N-dimethyl-formamide 70°C; | A 95% B n/a |
Conditions | Yield |
---|---|
Stage #1: C14H15NSe With Dess-Martin periodane In dichloromethane at 20℃; Stage #2: With water; sodium carbonate at 20℃; | A 95% B n/a |
Conditions | Yield |
---|---|
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride In tetrahydrofuran for 1h; Heating; | 94% |
phenylaluminium dichloride
allyl bromide
A
allylbenzene
B
biphenyl
C
aluminium bromide
Conditions | Yield |
---|---|
bis(η3-allyl-μ-chloropalladium(II)) In diethyl ether Ar atmosphere; stirring (20°C, 5 mole-% catalyst, 8 h); | A 94% B <1 C n/a |
tetrakis(triphenylphosphine) palladium(0) In diethyl ether Ar atmosphere; stirring (20°C, 5 mole-% catalyst, 20 h); | A <1 B <1 C n/a |
3-benzyl propionaldehyde
allylbenzene
Conditions | Yield |
---|---|
With methoxy(cyclooctadiene)rhodium(I) dimer; N,N-Dimethylacrylamide; 3-Methoxybenzoic acid; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In toluene at 90℃; for 3h; Time; | 94% |
With methoxy(cyclooctadiene)rhodium(I) dimer; N,N-Dimethylacrylamide; 3-Methoxybenzoic acid; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In toluene at 90℃; for 3h; | 94% |
With methoxy(cyclooctadiene)rhodium(I) dimer; 3-Methoxybenzoic acid; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In tetrahydrofuran at 40 - 80℃; chemoselective reaction; | 90 %Spectr. |
Conditions | Yield |
---|---|
bis-triphenylphosphine-palladium(II) chloride In tetrahydrofuran at 60℃; for 12h; | 93% |
Conditions | Yield |
---|---|
With 6,6'-dimethyl-2,2'-bipyridine; (1,2-dimethoxyethane)dichloronickel(II); bis(pinacol)diborane; lithium tert-butoxide In N,N-dimethyl acetamide; water at 30℃; for 24h; Inert atmosphere; | 93% |
Conditions | Yield |
---|---|
With hydrogen; triethyl phosphite In isopropyl alcohol at 100℃; under 4500.45 Torr; for 25h; Glovebox; chemoselective reaction; | 92% |
With bis(acetylacetonate)nickel(II); diethylzinc In 1,2-dimethoxyethane; hexane at 80℃; for 48h; Inert atmosphere; | 88% |
With carbon monoxide In water at 27℃; under 760.051 Torr; for 24h; chemoselective reaction; | 69% |
Conditions | Yield |
---|---|
With copper acetylacetonate; triphenylphosphine In tetrahydrofuran at 60℃; for 4h; further reagents and solvents; | 92% |
Conditions | Yield |
---|---|
With tetramethyldialuminoxane; [Zr(NPhPPh2)4] In tetrahydrofuran-d8 at 20℃; for 0.25h; Isomerization; | 100% |
With tetramethyldialuminoxane; [{N(SiMe3)C(Ph)}2CH]2TiCl2 In (2)H8-toluene at 25℃; for 1h; Kinetics; Further Variations:; Catalysts; | 99.5% |
With C44H58Cl2N4Pd In isopropyl alcohol at 70℃; for 3h; optical yield given as %de; diastereoselective reaction; | 98% |
Conditions | Yield |
---|---|
With potassium hydroxide In 1,2-dimethoxyethane at 40℃; for 0.5h; | 100% |
With potassium hydroxide In butan-1-ol for 3h; Heating; | 100% |
With bis(1,5-cyclooctadiene)nickel(0); [1,3-bis(2,4,6-trimethylphenyl)imidazol]-2-ylidene In toluene at 130℃; for 1h; Reagent/catalyst; Temperature; Time; | 99% |
Conditions | Yield |
---|---|
With Pt-Sn-citrate; hydrogen In methanol at 50℃; under 3800 Torr; for 3h; var. temperatures; var. pressures; | 100% |
With Pt-Sn-citrate; hydrogen In methanol at 50℃; under 3800 Torr; for 3h; | 100% |
With C49H60BF2IrN5(1+)*C32H12BF24(1-); hydrogen In 1,2-dichloro-ethane at 20℃; for 0.166667h; Reagent/catalyst; Schlenk technique; | 100% |
allylbenzene
1-(2,3-dichloropropyl)benzene
Conditions | Yield |
---|---|
With tetraethylammonium trichloride In dichloromethane | 100% |
With Phenylselenyl chloride; tetrabutyl-ammonium chloride; chlorine In tetrachloromethane; acetonitrile for 0.666667h; Heating; | 94% |
With hydrogenchloride; potassium permanganate In acetonitrile | 69% |
allylbenzene
3-phenylpropane-1,2-diol
Conditions | Yield |
---|---|
With water; 4-methylmorpholine N-oxide; osmium; Cu-Al-hydrotalcite In toluene at 60℃; for 11h; | 100% |
With potassium osmate; potassium carbonate; potassium hexacyanoferrate(III) In water; tert-butyl alcohol at 20℃; for 24h; | 91% |
With water; oxygen; palladium diacetate; sodium carbonate at 100℃; under 6080.41 Torr; for 24h; Autoclave; | 82% |
allylbenzene
Conditions | Yield |
---|---|
With tellurium tetrachloride In tetrachloromethane at 0 - 25℃; for 9h; regioselective reaction; | 100% |
With tellurium tetrachloride In tetrachloromethane for 1h; Ambient temperature; | 70% |
allylbenzene
cis-1,4-bis(acetyloxy)but-2-ene
(E/Z)-4-phenyl-2-buten-1-yl acetate
Conditions | Yield |
---|---|
With [Ru(dmf)3(1,3-dimesitylimidazolin-2-ylidene)(=CH-2-(2-PrO)-C6H4)][(BF4)2] In toluene at 100℃; for 1h; | 100% |
Cl2Ru(SIMes)(2-(isopropyl)oxy-5-nitrobenzylidene) In toluene at 70℃; for 18h; Product distribution; Further Variations:; Catalysts; reaction time; | 68% |
With C70H113Cl2N3O4Ru In neat (no solvent) at 40℃; for 16h; Cross Metathesis; Inert atmosphere; | 57% |
Conditions | Yield |
---|---|
With dihydrogen peroxide In water at 75℃; for 6h; | 100% |
With sodium periodate; C31H29Br2N3Ru*CH2Cl2 In water; ethyl acetate; acetonitrile at 25℃; for 0.5h; Inert atmosphere; Schlenk technique; | 96% |
Stage #1: allylbenzene With sodium periodate; C22H23N7Ru(2+)*F6P(1-)*CF3O3S(1-) In water; acetone at 20℃; for 2h; Stage #2: With sodium sulfite In dichloromethane; water for 0.166667h; Catalytic behavior; Reagent/catalyst; | 65% |
allylbenzene
ethyl-3,3,3-trifluoropyruvate
Conditions | Yield |
---|---|
silver hexafluoroantimonate; (S)-SEGPHOS-PdCl2 In dichloromethane at 20℃; for 0.5h; Ene reaction; | 100% |
With silver hexafluoroantimonate; (R)-(2,2'-bis(diphenylphosphanyl)biphenyl)dichloroplatinum(II) In dichloromethane at -20℃; for 1h; | 83% |
allylbenzene
ethyl-3,3,3-trifluoropyruvate
Conditions | Yield |
---|---|
With silver hexafluoroantimonate; chiral SEGPHOS-Pd(II) In dichloromethane at 20℃; for 0.5h; Friedel-Crafts reaction; | 100% |
Conditions | Yield |
---|---|
With 3-Methyl-1H-pyridin-2-one; dimethyl-amine; tantalum (V)-pentakis-dimethylamide In toluene at 110℃; for 16h; Glovebox; Inert atmosphere; | 100% |
With (N-[2,6-diisopropylphenyl]pivalamidate)tetrakis(dimethylamido)tantalum In (2)H8-toluene at 130℃; for 19h; Inert atmosphere; | 85% |
Stage #1: allylbenzene With N,N'-bis(2,6-dicyclopentyl-4-methoxyphenyl)formamidine; tetrabenzyl titanium at 20℃; for 0.333333h; Glovebox; Inert atmosphere; Stage #2: N-methylaniline at 155℃; for 0.1h; Sealed tube; | 85% |
Ta[N(CH3)2]5 at 160 - 165℃; for 41h; | 77% |
allylbenzene
(S)-(2,3-epoxypropyl)benzene
Conditions | Yield |
---|---|
With whole E. coli cells expressing monooxygenase from Herbaspirillum huttiense HhMO and NADH-dependent flavin oxidoreductase PsStyB In aq. phosphate buffer; octane at 37℃; pH=6; Catalytic behavior; Kinetics; Reagent/catalyst; Temperature; Solvent; pH-value; Concentration; Green chemistry; Enzymatic reaction; enantioselective reaction; | 100% |
Multi-step reaction with 2 steps 1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 4 h / 0 - 20 °C 2: [(S,S)-N,N’-bis(3,5-di-tertbutylsalicylidene)-1,2-cyclohexanediaminato(2-)]cobalt(II); water; acetic acid / tetrahydrofuran / 20 h / Cooling with ice View Scheme | |
With FAD; 1-Benzyl-1,4-dihydronicotinamide; styrene monooxygenase In aq. buffer at 30℃; for 1h; pH=7; enantioselective reaction; | n/a |
With D-glucose; recombinant Marinobacterium litorale styrene monooxygenase expressed as a fused protein in Escherichia coli BL21(DE3) In aq. phosphate buffer; deuteromethanol for 9h; pH=8; Enzymatic reaction; enantioselective reaction; | 26 mg |
allylbenzene
methyl dimethyl 2-(trifluoromethyl)propanedioate
(E)-dimethyl 2-cinnamyl-2-(trifluoromethyl)malonate
Conditions | Yield |
---|---|
With 2,6-dimethoxy-p-quinone; palladium diacetate; triphenylphosphine In 1-methyl-pyrrolidin-2-one at 20℃; for 12h; Reagent/catalyst; Temperature; Inert atmosphere; Schlenk technique; | 100% |
Conditions | Yield |
---|---|
With tellurium(IV) tetrabromide at 20 - 60℃; for 6h; regioselective reaction; | 100% |
Conditions | Yield |
---|---|
With tellurium tetrachloride In dichloromethane at 20 - 25℃; for 20h; regioselective reaction; | 100% |
allylbenzene
pyridin-2-yl sulfenyl chloride
Conditions | Yield |
---|---|
Stage #1: pyridin-2-yl sulfenyl chloride With bromine In dichloromethane at 20℃; for 0.5h; Stage #2: allylbenzene In dichloromethane at 20℃; for 60h; regioselective reaction; | 100% |
allylbenzene
1-(2,3-dideuteropropyl)benzene
Conditions | Yield |
---|---|
With deuterium; Wilkinson's catalyst In toluene | 99.4% |
Conditions | Yield |
---|---|
With 3-chloro-benzenecarboperoxoic acid In dichloromethane Cooling with ice; Inert atmosphere; | 99% |
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 0℃; for 2h; Inert atmosphere; | 99% |
With NH-pyrazole; water; dihydrogen peroxide; methyltrioxorhenium(VII) In various solvent(s) for 21h; Ambient temperature; | 97% |
Conditions | Yield |
---|---|
With tetrapropylammonium nonabromide In dichloromethane at 0 - 23℃; for 0.0166667h; Reagent/catalyst; Inert atmosphere; | 99% |
With acetic acid; lithium bromide Ambient temperature; | 98% |
With aluminum (III) chloride; ammonium metavanadate; tetrabutylammomium bromide; oxygen In 1,2-dimethoxyethane at 50℃; for 18h; | 95% |
allylbenzene
bis(methoxycarbonyl)(phenyliodinio)methanide
dimethyl 2-(phenylmethyl)cyclopropane-1,1-dicarboxylate
Conditions | Yield |
---|---|
dirhodium tetraacetate at 120℃; for 0.0166667h; | 99% |
With dirhodium tetraacetate In dichloromethane at 25℃; for 3h; | 53% |
Conditions | Yield |
---|---|
[1,3-bis-(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(O-isopropoxyphenylmethylene)ruthenium In dichloromethane for 12h; Heating; | 99% |
With Hoveyda-Grubbs catalyst second generation In 1,2-dichloro-ethane Reflux; Inert atmosphere; | 81% |
allylbenzene
acrylic acid methyl ester
methyl (E)-4-phenyl-2-butenoate
Conditions | Yield |
---|---|
[1,3-bis-(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(O-isopropoxyphenylmethylene)ruthenium In dichloromethane for 12h; Heating; | 99% |
With RuCl2(CHPh)(IMes)2; 2,4,6-triphenylpyrylium tetrafluoroborate In dichloromethane at 20℃; for 4h; Cross Metathesis; Inert atmosphere; Sealed tube; Irradiation; | 60% |
With RuCl2(CHPh)(IMes)2; 2,4,6-triphenylpyrylium tetrafluoroborate In dichloromethane at 20℃; for 4h; Alkene (Olefin) Metathesis; Inert atmosphere; Irradiation; Sealed tube; | 60% |
With RuCl2(CHPh)(IMes)2; 2,4,6-triphenylpyrylium tetrafluoroborate In dichloromethane at 20℃; for 4h; Irradiation; Sealed tube; Inert atmosphere; | 60% |
allylbenzene
S-(5-(2,4-difluorophenyl)-5-oxo-1-phenylpentan-2-yl) O-ethyl carbonodithioate
Conditions | Yield |
---|---|
With dilauryl peroxide In cyclohexane Inert atmosphere; Reflux; | 99% |
The IUPAC name of Allylbenzene is prop-2-enylbenzene. With the CAS registry number 300-57-2, it is also named as 1-Benzylethene. The product's categories are Aromatic Compounds; Miscellaneous. It is colourless liquid which is soluble in alcohol, ether, benzene and insoluble in water. This chemical is stable and incompatible with strong oxidizing agents. When heated to decomposition it emits acrid smoke and irritating fumes. So the storage environment should be well- ventilated, low-temperature and dry. Keep this chemical separate from raw materials of food.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 169.57; (6)ACD/BCF (pH 7.4): 169.57; (7)ACD/KOC (pH 5.5): 1372.1; (8)ACD/KOC (pH 7.4): 1372.1; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.511; (13)Molar Refractivity: 40.16 cm3; (14)Molar Volume: 133.8 cm3; (15)Polarizability: 15.92×10-24 cm3; (16)Surface Tension: 29.7 dyne/cm; (17)Enthalpy of Vaporization: 37.77 kJ/mol; (18)Vapour Pressure: 3.59 mmHg at 25°C; (19)Rotatable Bond Count: 2; (20)Exact Mass: 118.07825; (21)MonoIsotopic Mass: 118.07825; (22)Heavy Atom Count: 9; (23)Complexity: 78.
Preparation of Allylbenzene: First, using bromobenzene to produce the ether solution of diphenylmagnesium bromide bromide. Then reacting with allyl bromopropylene to get the product.
Uses of Allylbenzene: It is used in organic synthesis. For example: it can react with tetrachloromethane to get (2,4,4,4-tetrachloro-butyl)-benzene. This reaction needs reagent diacetyl peroxide.
When you are using this chemical, please be cautious about it as the following:
It is flammable and may cause lung damage if swallowed. So people should not breathe vapour and avoid contact with skin and eyes. If swallowed, do not induce vomitting; seek medical advice immediately and show this container or label.
People can use the following data to convert to the molecule structure.
1. SMILES:C=C\Cc1ccccc1
2. InChI:InChI=1/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
3. InChIKey:HJWLCRVIBGQPNF-UHFFFAOYAO
The following are the toxicity data which has been tested.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 2900mg/kg (2900mg/kg) | Toxicology and Applied Pharmacology. Vol. 7, Pg. 18, 1965. | |
rat | LD50 | oral | 5540mg/kg (5540mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA | Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. |
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