1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In tetrahydrofuran at 25℃; for 2h; Inert atmosphere; Glovebox; | 94% |
1,3-di(2,4,6-trimethylphenyl)-2-(pentafluorophenyl)-2,4,5-trihydroimidazole
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In toluene mixt. of Ru complex and imidazolidine in toluene was heated at 60°C for 4 h; | 91% |
1,3-bis(2,4,6-trimethylphenyl)-2-(trichloromethyl)imidazolidine
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In toluene mixt. of Ru complex and imidazolidine in toluene was heated at 60°C for 4 h; | 87% |
In toluene byproducts: PCy3, CHCl3; (N2); using Schlenk techniques; mixing of (Mes2C3N2H5)(CCl3) and (PCy3)2Cl2Ru(CHPh) in toluene; heating at 60°C for 90 min; cooling to room temp., removal of solvent under vac., washing with methanol and pentane, drying under vac. for 12 h; | 84% |
tris(cyclohexyl)phosphonium tetrafluoroborate
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In toluene byproducts: pyridinium tetrafluoroborate, pyridine; 1.1 equiv. of phosphonium salt; passage through silica plug; | 80% |
1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium chloride
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
With KO(C(CH3)3) In hexane byproducts: KCl, C(CH3)3OH, PCy3; using Schlenk techniques; mixing of (Mes2C3N2H5)(Cl), KO(t-Bu) and (PCy3)2Cl2Ru(CHPh) in anhyd. hexane; degassing of soln. by pulling vac. for afew minutes, heating at 60°C for 24 h in vac. with very vigorous stirring; cooling to room temp., opening the flask to air, addn. of 1:1 2-propanol:water; stirring in air for 30 min, filtration, washing with 2-propanol:water and with hexane, drying under vac. overnight, elem. anal.; | 75% |
With potassium tert-butylate In hexane at 60℃; for 24h; Schlenk technique; | 75% |
With KOC(CH3)3 In toluene mixing N compd., Ru complex, K compd. in toluene at 50°C; |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
Stage #1: N,N'-dimesityl-4,5-dihydro-1H-imidazolium tetrafluoroborate With potassium tert-butylate In tetrahydrofuran at 20℃; for 1h; Schlenk technique; Inert atmosphere; Stage #2: Grubbs catalyst first generation In benzene at 80℃; for 1.5h; Schlenk technique; Inert atmosphere; | 56% |
With KO(C(CH3)3) In benzene byproducts: KBF4, C(CH3)3OH, PCy3; (N2); using Schlenk techniques; mixing of (Mes2C3N2H5)(BF4), KO(t-Bu) and THF; stirring for 1 h; addn. of (PCy3)2Cl2Ru(CHPh) in benzene; heatingat 80°C for 30 min; removal of volatiles under vac., suspending in benzene, filtration over Celite, concn., addn. of methanol, pptn., washing with methanol, pentaneand then drying under vac.; | 45% |
tricyclohexylphosphine
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
With C5((2)H)5N In not given under Ar or N2; Ru complex reacts instantaneously with the phosphine; addn. of an excess of C5((2)H)5N leads to a formation of the bis(pyridine-d5) complex; evapn. of volatiles in vac. leads to a reformation of the phosphine complex; |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In benzene-d6 (N2); using Schlenk techniques; charging of NMR tube with Ru(CHPh)Cl2(C3N2H4Mes2)2, (PCy3)2(Cl)2Ru(CHPh) (1 equiv.) and C6D6; heating at 70°C for 47 h; monitoring by NMR; |
tricyclohexylphosphine
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In benzene-d6 (N2); using Schlenk techniques; charging of NMR tube with Ru(CHPh)Cl2(C3N2H4Mes2)2, PCy3 (excess) and C6D6; heating at 80°C for 36 h; monitoring by NMR; |
styrene
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In tetrahydrofuran excess styrene; | 0% |
In toluene excess styrene; | 0% |
tricyclohexylphosphine
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In benzene-d6 100°C, 8 h; |
tricyclohexylphosphine
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In benzene-d6 100°C, 2 h; |
2,4,6-trimethylaniline
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
Multi-step reaction with 4 steps 1: isopropyl alcohol; water / 24 h / 0 - 20 °C 2: sodium tetrahydroborate; hydrogenchloride / water; tetrahydrofuran / 0 - 20 °C 3: formic acid / 5 h / 120 °C / Inert atmosphere 4: potassium tert-butylate / hexane / 24 h / 60 °C / Schlenk technique View Scheme |
N,N'-bis(2,4,6-trimethylphenyl)ethanediimine
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: sodium tetrahydroborate; hydrogenchloride / water; tetrahydrofuran / 0 - 20 °C 2: formic acid / 5 h / 120 °C / Inert atmosphere 3: potassium tert-butylate / hexane / 24 h / 60 °C / Schlenk technique View Scheme |
N1,N2-dimesitylethane-1,2-diaminium chloride
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: formic acid / 5 h / 120 °C / Inert atmosphere 2: potassium tert-butylate / hexane / 24 h / 60 °C / Schlenk technique View Scheme |
tricyclohexylphosphine
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
for 0.5h; Inert atmosphere; Schlenk technique; |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: NaN(Si(CH3)3)2 / toluene 2: benzene-d6 View Scheme |
1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazolium chloride
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: potassium hexamethylsilazane / toluene / 1 h / 20 °C / Inert atmosphere; Schlenk technique 2: toluene / Schlenk technique; Inert atmosphere View Scheme |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In toluene Schlenk technique; Inert atmosphere; |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
With copper(l) chloride In dichloromethane at 30℃; for 1h; Schlenk technique; | 100% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
dmap
Conditions | Yield |
---|---|
In toluene at 20 - 25℃; for 12h; | 99% |
In neat (no solvent) for 0.333333h; Milling; | 87% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
hydrogen
ethylenediamine
Conditions | Yield |
---|---|
In sodium hydroxide under H2 (1 atm.); NMR; | 99% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
(4-isopropoxy-3-vinylphenyl)(diphenyl)methanol
Conditions | Yield |
---|---|
With copper(l) chloride In dichloromethane carbene complex (0.075 mmol), CuCl (0.09 mmol), and CH2Cl2 (4 ml) placedin Schlenk tube; styrene (0.09 mmol) in CH2Cl2 added; stirred (under Ar , 40°C, 1 h); concd. (vac.); column chromy. (silica gel, cyclohexane/ethyl acetate 3:1); green band removed; evapd.; washed with min. amt. of cold n-pentane; dried (vac.); | 99% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
With copper(l) chloride In dichloromethane under Ar; soln. of pyridinium compd. in CH2Cl2 added to Ru complex and CuCl (molar ratio 1.2:1:1.5) in CH2Cl2; stirred at 45°C for 15 min; under air; concd. in vac.; EtOAc added; soln. filtered off; solvent removed; washed with cold n-pentane; dried under vac.; | 99% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In tetrahydrofuran for 16h; Inert atmosphere; Schlenk technique; | 99% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In toluene; acetonitrile for 16h; Inert atmosphere; Schlenk technique; Glovebox; | 99% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In tetrahydrofuran | 98% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In toluene; acetonitrile for 16h; Inert atmosphere; Schlenk technique; Glovebox; | 98% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Vinylidene fluoride
Conditions | Yield |
---|---|
In benzene under 1140.08 Torr; for 12h; Heating; | 98% |
In benzene soln. of Ru(Cl)2(P(C6H11)3)(CH(C6H5))(C3H5N2(C6H2(CH3)3)2) in dry degassed benzene in thick-walled glass ampule put under approx. 1.5 atm of 1,1-difluoroethylene; mixt. heated at 60°C for 12 h; color changed from reddish to brown; soln. concd. and purifed by column chromy. in air (silica gel, 5:1 pentane:THF); orange fraction stripped of solvent; dried under vac.; | 86% |
In benzene-d6 at 60℃; under 760.051 Torr; for 12h; | |
In benzene-d6 at 60℃; under 760.051 Torr; for 12h; |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
p-phenylpyridine
Conditions | Yield |
---|---|
In toluene at 20 - 25℃; for 12h; | 97% |
In toluene at 20 - 25℃; for 12h; | 97% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In dichloromethane at 45℃; | 97% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
2-methyl-8-vinylquinoline
Conditions | Yield |
---|---|
With copper(l) chloride In dichloromethane at 30℃; for 1.5h; | 96% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
1,10-Phenanthroline
Conditions | Yield |
---|---|
In toluene at 20 - 25℃; for 12h; | 96% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
silver trifluoromethanesulfonate
acetonitrile
Conditions | Yield |
---|---|
In chloroform byproducts: AgCl, PCy3; using standard Schlenk techniques; mixt. of Ru complex and Ag salt (2 equiv.) in CHCl3 stirred in presence of MeCN (3 equiv.) at 25°C for30 min; filtered; n-pentane added to filtrate; filtered; ppt. washed with n-pentane; dried under vac.; elem. anal.; | 96% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
With copper(l) chloride In dichloromethane at 20℃; for 0.5h; Inert atmosphere; | 96% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
iodine
Conditions | Yield |
---|---|
In dichloromethane at 25℃; for 0.5h; Inert atmosphere; | 95% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
(2R,4aR,5aS,10aR,11R,11aS)-2-(naphthalen-2-yl)-4,4a,5a,6,9,10a,11,11a-octahydro-[1,3]dioxino[40,50:5,6]pyrano[3,2-b]oxepin-11-ol
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 5h; | 95% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
acetonitrile
Conditions | Yield |
---|---|
With copper(l) chloride at 20℃; for 3h; | 95% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In dichloromethane at 45℃; | 95% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
3-Bromopyridine
Grubbs catalyst third generation
Conditions | Yield |
---|---|
Inert atmosphere; | 94% |
In not given byproducts: P(C6H11)3; within minutes; pptn. with pentane; | 89% |
at 20 - 25℃; for 12h; | 86% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
2-(prop-1-enyl)phenol
Conditions | Yield |
---|---|
With tricyclohexylphosphine In dichloromethane at 40℃; for 24h; Inert atmosphere; Schlenk technique; | 94% |
With tricyclohexylphosphine In dichloromethane at 40℃; for 5h; | 72% |
With tricyclohexylphosphine In dichloromethane at 40℃; for 5h; | 72% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
2-(prop-1-enyl)phenol
tricyclohexylphosphine
Conditions | Yield |
---|---|
In dichloromethane at 40℃; for 24h; Inert atmosphere; | 94% |
N-(but-3-enyl)-4-methyl-N-(phenylethynyl)benzenesulfonamide
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In dichloromethane at 45℃; | 94% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
2,2'-biquinoline
Conditions | Yield |
---|---|
In toluene at 20 - 25℃; for 12h; | 93% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
4-pyrrolidin-1-ylpyridine
Conditions | Yield |
---|---|
at 20 - 25℃; for 12h; | 93% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
ethyl vinyl ether
Conditions | Yield |
---|---|
In dichloromethane ligand was added to CH2Cl2 soln. of Ru-complex, stirred at room temp. for 2 h under N2; solvent was evapd. under vac., washed with pentane and MeOH; | 93% |
In benzene-d6 Kinetics; at 25°C; monitoring by NMR; | |
In toluene at 50℃; for 1h; Schlenk technique; Inert atmosphere; | |
In (2)H8-toluene at 30℃; |
pyridine
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
Conditions | Yield |
---|---|
In toluene at 20℃; for 0.5h; Inert atmosphere; | 92% |
In toluene at 20℃; for 0.5h; Inert atmosphere; Glovebox; | 92% |
In toluene at 20℃; for 0.5h; Inert atmosphere; Glovebox; | 92% |
tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride
2-hydroxy-5-nitrostyrene
Conditions | Yield |
---|---|
With tricyclohexylphosphine In dichloromethane at 40℃; for 24h; Inert atmosphere; Schlenk technique; | 92% |
With tricyclohexylphosphine In dichloromethane at 40℃; for 1h; | 50% |
With tricyclohexylphosphine In dichloromethane at 40℃; for 1h; | 50% |
The CAS register number of Grubbs Catalyst 2nd Generation is 246047-72-3. It also can be called as 1,3-Bis(2,4,6-trimethylphenyl)-2-(imidazolidinylidene)(dichlorophenylmethylene)(tricyclohexylphosphine)ruthenium and the IUPAC name about this chemical is benzylidene-[1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]-dichlororuthenium; tricyclohexylphosphanium. The molecular formula about this chemical is C46H65Cl2N2PRu and the molecular weight is 848.97.
Physical properties about Grubbs Catalyst 2nd Generation are: (1)#H bond acceptors: 2; (2)#Freely Rotating Bonds: 6; (3)Polar Surface Area: 16.29Å2; (4)H-Bond Acceptor: 2; (5)Rotatable Bond Count: 6; (6)Exact Mass: 849.338417; (7)MonoIsotopic Mass: 849.338417; (8)Topological Polar Surface Area: 6.5; (9)Heavy Atom Count: 52; (10)Formal Charge: 1; (11)Complexity: 1090; (12)Covalently-Bonded Unit Count: 2.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(c(c(c1)C)N2CCN(C2=[Ru](=Cc3ccccc3)(=P(C4CCCCC4)(C5CCCCC5)C6CCCCC6)(Cl)Cl)c7c(cc(cc7C)C)C)C
(2)InChI: InChI=1/C21H26N2.C18H33P.C7H6.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1-6H;2*1H;/q;;;;;+2/p-2/rC46H65Cl2N2PRu/c1-34-29-36(3)44(37(4)30-34)49-27-28-50(45-38(5)31-35(2)32-39(45)6)46(49)52(47,48,33-40-19-11-7-12-20-40)51(41-21-13-8-14-22-41,42-23-15-9-16-24-42)43-25-17-10-18-26-43/h7,11-12,19-20,29-33,41-43H,8-10,13-18,21-28H2,1-6H3
(3)InChIKey: FCDPQMAOJARMTG-IPDLWRNEA
(4)Std. InChI: InChI=1S/C21H26N2.C18H33P.C7H6.2ClH.Ru/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-7-5-3-2-4-6-7;;;/h9-12H,7-8H2,1-6H3;16-18H,1-15H2;1-6H;2*1H;/q;;;;;+2/p-2
(5)Std. InChIKey: FCDPQMAOJARMTG-UHFFFAOYSA-L
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