Benzenoids
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4-(7-Chloro-4-quinolinylamino)-2-(diethylaminomethyl)phenol dihydrochloride dihydrate, 98%
CAS: 6398-98-7 Molecular Formula: C20H28Cl3N3O3 Molecular Weight (g/mol): 464.812 MDL Number: MFCD00078857 InChI Key: YVNAYSHNIILOJS-UHFFFAOYSA-N Synonym: amodiaquin dihydrochloride dihydrate,amodiaquine hcl,amodiaquine hydrochloride,amodiaquine dihydrochloride dihydrate,unii-k6pw2s574l,4-7-chloroquinolin-4-yl amino-2-diethylamino methyl phenol dihydrochloride dihydrate,amodiaquine hydrochloride usp,cam-aq 1 PubChem CID: 64646 ChEBI: CHEBI:50652 IUPAC Name: 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;dihydrate;dihydrochloride SMILES: CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.O.O.Cl.Cl
| PubChem CID | 64646 |
|---|---|
| CAS | 6398-98-7 |
| Molecular Weight (g/mol) | 464.812 |
| ChEBI | CHEBI:50652 |
| MDL Number | MFCD00078857 |
| SMILES | CCN(CC)CC1=C(C=CC(=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O.O.O.Cl.Cl |
| Synonym | amodiaquin dihydrochloride dihydrate,amodiaquine hcl,amodiaquine hydrochloride,amodiaquine dihydrochloride dihydrate,unii-k6pw2s574l,4-7-chloroquinolin-4-yl amino-2-diethylamino methyl phenol dihydrochloride dihydrate,amodiaquine hydrochloride usp,cam-aq 1 |
| IUPAC Name | 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol;dihydrate;dihydrochloride |
| InChI Key | YVNAYSHNIILOJS-UHFFFAOYSA-N |
| Molecular Formula | C20H28Cl3N3O3 |
2-Chloro-1-nitro-3,5-bis(trifluoromethyl)benzene, 98%
CAS: 654-55-7 Molecular Formula: C8H2ClF6NO2 Molecular Weight (g/mol): 293.549 MDL Number: MFCD04972677 InChI Key: OCRFDZOBCZLPRB-UHFFFAOYSA-N Synonym: 2-chloro-1-nitro-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl-2-chloronitrobenzene,3,5-bis trifluoromethyl-2-chloro-nitrobenzene,2-chloro-3,5-di trifluoromethyl nitrobenzene,2-chloro-3,5-bis trifluoromethyl nitrobenzene,pubchem16471,2,4-bis-trifluoromethyl-6-nitrochlorobenzene,2-chloro-3,5-bis-trifluoromethyl-nitrobenzene,3,5-bis-trifluoromethyl-2-chloro-nitrobenzene,2-chloro-1-nitro-3,5-bis-trifluoromethyl-benzene PubChem CID: 10803688 IUPAC Name: 2-chloro-1-nitro-3,5-bis(trifluoromethyl)benzene SMILES: C1=C(C=C(C(=C1C(F)(F)F)Cl)[N+](=O)[O-])C(F)(F)F
| PubChem CID | 10803688 |
|---|---|
| CAS | 654-55-7 |
| Molecular Weight (g/mol) | 293.549 |
| MDL Number | MFCD04972677 |
| SMILES | C1=C(C=C(C(=C1C(F)(F)F)Cl)[N+](=O)[O-])C(F)(F)F |
| Synonym | 2-chloro-1-nitro-3,5-bis trifluoromethyl benzene,3,5-bis trifluoromethyl-2-chloronitrobenzene,3,5-bis trifluoromethyl-2-chloro-nitrobenzene,2-chloro-3,5-di trifluoromethyl nitrobenzene,2-chloro-3,5-bis trifluoromethyl nitrobenzene,pubchem16471,2,4-bis-trifluoromethyl-6-nitrochlorobenzene,2-chloro-3,5-bis-trifluoromethyl-nitrobenzene,3,5-bis-trifluoromethyl-2-chloro-nitrobenzene,2-chloro-1-nitro-3,5-bis-trifluoromethyl-benzene |
| IUPAC Name | 2-chloro-1-nitro-3,5-bis(trifluoromethyl)benzene |
| InChI Key | OCRFDZOBCZLPRB-UHFFFAOYSA-N |
| Molecular Formula | C8H2ClF6NO2 |
4-Methoxystyrene, 96%, stabilized
CAS: 637-69-4 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.18 MDL Number: MFCD00008619 InChI Key: UAJRSHJHFRVGMG-UHFFFAOYSA-N Synonym: 4-methoxystyrene,1-methoxy-4-vinylbenzene,p-methoxystyrene,4-vinylanisole,benzene, 1-ethenyl-4-methoxy,p-vinylanisole,anisole, p-vinyl,unii-2ish8t4a6e,ccris 4381,4-vinylanisol PubChem CID: 12507 IUPAC Name: 1-ethenyl-4-methoxybenzene SMILES: COC1=CC=C(C=C)C=C1
| PubChem CID | 12507 |
|---|---|
| CAS | 637-69-4 |
| Molecular Weight (g/mol) | 134.18 |
| MDL Number | MFCD00008619 |
| SMILES | COC1=CC=C(C=C)C=C1 |
| Synonym | 4-methoxystyrene,1-methoxy-4-vinylbenzene,p-methoxystyrene,4-vinylanisole,benzene, 1-ethenyl-4-methoxy,p-vinylanisole,anisole, p-vinyl,unii-2ish8t4a6e,ccris 4381,4-vinylanisol |
| IUPAC Name | 1-ethenyl-4-methoxybenzene |
| InChI Key | UAJRSHJHFRVGMG-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
2,4,6-Trimethylstyrene, 95%, stab. with 500ppm 4-tert-butylcatechol
CAS: 769-25-5 Molecular Formula: C11H14 Molecular Weight (g/mol): 146.233 MDL Number: MFCD00008613 InChI Key: PDELBHCVXBSVPJ-UHFFFAOYSA-N Synonym: 2,4,6-trimethylstyrene,1,3,5-trimethyl-2-vinylbenzene,2-vinylmesitylene,mesitylethylene,vinylmesitylene,styrene, 2,4,6-trimethyl,unii-89fv7yq871,benzene, 2-ethenyl-1,3,5-trimethyl,2,6-trimethylstyrene,styrene,4,6-trimethyl PubChem CID: 13036 IUPAC Name: 2-ethenyl-1,3,5-trimethylbenzene SMILES: CC1=CC(=C(C(=C1)C)C=C)C
| PubChem CID | 13036 |
|---|---|
| CAS | 769-25-5 |
| Molecular Weight (g/mol) | 146.233 |
| MDL Number | MFCD00008613 |
| SMILES | CC1=CC(=C(C(=C1)C)C=C)C |
| Synonym | 2,4,6-trimethylstyrene,1,3,5-trimethyl-2-vinylbenzene,2-vinylmesitylene,mesitylethylene,vinylmesitylene,styrene, 2,4,6-trimethyl,unii-89fv7yq871,benzene, 2-ethenyl-1,3,5-trimethyl,2,6-trimethylstyrene,styrene,4,6-trimethyl |
| IUPAC Name | 2-ethenyl-1,3,5-trimethylbenzene |
| InChI Key | PDELBHCVXBSVPJ-UHFFFAOYSA-N |
| Molecular Formula | C11H14 |
4-Cyanostyrene, 97%, stab. with 0.05% 4-tert-butyl catechol
CAS: 3435-51-6 Molecular Formula: C9H7N Molecular Weight (g/mol): 129.16 MDL Number: MFCD00080445 InChI Key: SNTUCKQYWGHZPK-UHFFFAOYSA-N PubChem CID: 76967 IUPAC Name: 4-ethenylbenzonitrile SMILES: C=CC1=CC=C(C=C1)C#N
| PubChem CID | 76967 |
|---|---|
| CAS | 3435-51-6 |
| Molecular Weight (g/mol) | 129.16 |
| MDL Number | MFCD00080445 |
| SMILES | C=CC1=CC=C(C=C1)C#N |
| IUPAC Name | 4-ethenylbenzonitrile |
| InChI Key | SNTUCKQYWGHZPK-UHFFFAOYSA-N |
| Molecular Formula | C9H7N |
Tris(dibenzylideneacetone)dipalladium-chloroform adduct, 97%
CAS: 52522-40-4 Molecular Formula: C52H43Cl3O3Pd2 Molecular Weight (g/mol): 1035.10 MDL Number: MFCD00075479 InChI Key: LNAMMBFJMYMQTO-UHFFFAOYSA-N Synonym: tris dibenzylideneacetone dipalladium-chloroform adduct,tris dibenylideneacetone dipalladium-chloroform,tris dibenzylideneacetone dipalladium 0 chloroform adduct,tris dibenzylideneacetone dipalladium 0-chloroform adduct,tris dibenzylideneacetone dipalladium chloroform adduct,tris dibenzylideneacetone dipalladium-chloroform,pd2 dba 3 chcl3,tris dibenzylideneacetone chloroform-di-palladium 0,tris dibenzylideneacetone dipalladium chloroform complex PubChem CID: 11029508 IUPAC Name: chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium SMILES: [Pd].[Pd].ClC(Cl)Cl.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1
| PubChem CID | 11029508 |
|---|---|
| CAS | 52522-40-4 |
| Molecular Weight (g/mol) | 1035.10 |
| MDL Number | MFCD00075479 |
| SMILES | [Pd].[Pd].ClC(Cl)Cl.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1.O=C(C=CC1=CC=CC=C1)C=CC1=CC=CC=C1 |
| Synonym | tris dibenzylideneacetone dipalladium-chloroform adduct,tris dibenylideneacetone dipalladium-chloroform,tris dibenzylideneacetone dipalladium 0 chloroform adduct,tris dibenzylideneacetone dipalladium 0-chloroform adduct,tris dibenzylideneacetone dipalladium chloroform adduct,tris dibenzylideneacetone dipalladium-chloroform,pd2 dba 3 chcl3,tris dibenzylideneacetone chloroform-di-palladium 0,tris dibenzylideneacetone dipalladium chloroform complex |
| IUPAC Name | chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium |
| InChI Key | LNAMMBFJMYMQTO-UHFFFAOYSA-N |
| Molecular Formula | C52H43Cl3O3Pd2 |
4-Fluoro-trans-beta-styrylboronic acid pinacol ester, 97%
CAS: 504433-86-7 Molecular Formula: C14H18BFO2 Molecular Weight (g/mol): 248.10 MDL Number: MFCD12546189 InChI Key: ZJRAXVMUDOVAOD-UHFFFAOYSA-N Synonym: e-2-4-fluorostyryl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-fluoro-trans-beta-styrylboronic acid pinacol ester,2-e-2-4-fluorophenyl ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-p-fluorostyryl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-e-4-fluorostyryl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-trans-2-4-fluorophenyl vinyl-4,4,5,5-tetramethyl 1,3,2 dioxaborolane PubChem CID: 11207378 IUPAC Name: 2-[(E)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C=CC1=CC=C(F)C=C1
| PubChem CID | 11207378 |
|---|---|
| CAS | 504433-86-7 |
| Molecular Weight (g/mol) | 248.10 |
| MDL Number | MFCD12546189 |
| SMILES | CC1(C)OB(OC1(C)C)C=CC1=CC=C(F)C=C1 |
| Synonym | e-2-4-fluorostyryl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-fluoro-trans-beta-styrylboronic acid pinacol ester,2-e-2-4-fluorophenyl ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-p-fluorostyryl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-e-4-fluorostyryl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-trans-2-4-fluorophenyl vinyl-4,4,5,5-tetramethyl 1,3,2 dioxaborolane |
| IUPAC Name | 2-[(E)-2-(4-fluorophenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | ZJRAXVMUDOVAOD-UHFFFAOYSA-N |
| Molecular Formula | C14H18BFO2 |
Benzyl Alcohol, NF, EP, BP, JP, bioCERTIFIED™, 500 mL, Spectrum Chemical
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alpha,alpha'-Dichloro-p-xylene, 98%
CAS: 623-25-6 MDL Number: MFCD00000920 InChI Key: ZZHIDJWUJRKHGX-UHFFFAOYSA-N Synonym: 1,4-bis chloromethyl benzene,alpha,alpha'-dichloro-p-xylene,p-xylylene dichloride,p-xylylene chloride,benzene, 1,4-bis chloromethyl,p-bis chloromethyl benzene,benzene, p-bis chloromethyl,a,a'-dichloro-p-xylene,xylylene dichloride,ccris 1772 PubChem CID: 12171 IUPAC Name: 1,4-bis(chloromethyl)benzene SMILES: C1=CC(=CC=C1CCl)CCl
| PubChem CID | 12171 |
|---|---|
| CAS | 623-25-6 |
| MDL Number | MFCD00000920 |
| SMILES | C1=CC(=CC=C1CCl)CCl |
| Synonym | 1,4-bis chloromethyl benzene,alpha,alpha'-dichloro-p-xylene,p-xylylene dichloride,p-xylylene chloride,benzene, 1,4-bis chloromethyl,p-bis chloromethyl benzene,benzene, p-bis chloromethyl,a,a'-dichloro-p-xylene,xylylene dichloride,ccris 1772 |
| IUPAC Name | 1,4-bis(chloromethyl)benzene |
| InChI Key | ZZHIDJWUJRKHGX-UHFFFAOYSA-N |
2,3-Dimethoxyphenol, 99%
CAS: 5150-42-5 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00008366 InChI Key: QSZCGGBDNYTQHH-UHFFFAOYSA-N Synonym: dimethoxyphenol,phenol, dimethoxy,unii-ow147i6c84,1-hydroxy-2,3-dimethoxybenzene,pyrogallol 1,2-dimethyl ether,phenol, 2,3-dimethoxy,phenol,3-dimethoxy,2,3-di-methoxyphenol,2,3-dim ethoxyphenol,2,3-dimethoxy phenol PubChem CID: 78828 IUPAC Name: 2,3-dimethoxyphenol SMILES: COC1=CC=CC(=C1OC)O
| PubChem CID | 78828 |
|---|---|
| CAS | 5150-42-5 |
| Molecular Weight (g/mol) | 154.17 |
| MDL Number | MFCD00008366 |
| SMILES | COC1=CC=CC(=C1OC)O |
| Synonym | dimethoxyphenol,phenol, dimethoxy,unii-ow147i6c84,1-hydroxy-2,3-dimethoxybenzene,pyrogallol 1,2-dimethyl ether,phenol, 2,3-dimethoxy,phenol,3-dimethoxy,2,3-di-methoxyphenol,2,3-dim ethoxyphenol,2,3-dimethoxy phenol |
| IUPAC Name | 2,3-dimethoxyphenol |
| InChI Key | QSZCGGBDNYTQHH-UHFFFAOYSA-N |
| Molecular Formula | C8H10O3 |
2-Nitrophenol, 99%
CAS: 88-75-5 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00011688 InChI Key: IQUPABOKLQSFBK-UHFFFAOYSA-N Synonym: o-nitrophenol,2-hydroxynitrobenzene,phenol, 2-nitro,o-hydroxynitrobenzene,phenol, o-nitro,nitrophenol,o-nitrofenol,ortho-nitrophenol,phenol, nitro,o-nitrofenol czech PubChem CID: 6947 ChEBI: CHEBI:16260 IUPAC Name: 2-nitrophenol SMILES: OC1=CC=CC=C1[N+]([O-])=O
| PubChem CID | 6947 |
|---|---|
| CAS | 88-75-5 |
| Molecular Weight (g/mol) | 139.11 |
| ChEBI | CHEBI:16260 |
| MDL Number | MFCD00011688 |
| SMILES | OC1=CC=CC=C1[N+]([O-])=O |
| Synonym | o-nitrophenol,2-hydroxynitrobenzene,phenol, 2-nitro,o-hydroxynitrobenzene,phenol, o-nitro,nitrophenol,o-nitrofenol,ortho-nitrophenol,phenol, nitro,o-nitrofenol czech |
| IUPAC Name | 2-nitrophenol |
| InChI Key | IQUPABOKLQSFBK-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO3 |
2-Methoxybenzyl alcohol, 99%
CAS: 612-16-8 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00004611 InChI Key: WYLYBQSHRJMURN-UHFFFAOYSA-N Synonym: 2-methoxybenzyl alcohol,2-methoxyphenyl methanol,o-methoxybenzyl alcohol,benzenemethanol, 2-methoxy,o-anisyl alcohol,2-methoxybenzylalcohol,2-methoxybenzenemethanol,unii-457nq8ngcg,457nq8ngcg,2-methoxyphenyl methan-1-ol PubChem CID: 69154 IUPAC Name: (2-methoxyphenyl)methanol SMILES: COC1=CC=CC=C1CO
| PubChem CID | 69154 |
|---|---|
| CAS | 612-16-8 |
| Molecular Weight (g/mol) | 138.166 |
| MDL Number | MFCD00004611 |
| SMILES | COC1=CC=CC=C1CO |
| Synonym | 2-methoxybenzyl alcohol,2-methoxyphenyl methanol,o-methoxybenzyl alcohol,benzenemethanol, 2-methoxy,o-anisyl alcohol,2-methoxybenzylalcohol,2-methoxybenzenemethanol,unii-457nq8ngcg,457nq8ngcg,2-methoxyphenyl methan-1-ol |
| IUPAC Name | (2-methoxyphenyl)methanol |
| InChI Key | WYLYBQSHRJMURN-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
2-Hydroxyphenylacetic acid, 99%
CAS: 614-75-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00004323 InChI Key: CCVYRRGZDBSHFU-UHFFFAOYSA-N Synonym: 2-hydroxyphenylacetic acid,2-2-hydroxyphenyl acetic acid,2-hydroxyphenyl acetic acid,benzeneacetic acid, 2-hydroxy,2-hydroxybenzeneacetic acid,o-hydroxyphenylacetic acid,acetic acid, o-hydroxyphenyl,2-hydroxyphenylacetate,o-hydroxyphenyl acetic acid,ortho-hydroxyphenylacetic acid PubChem CID: 11970 ChEBI: CHEBI:28478 IUPAC Name: 2-(2-hydroxyphenyl)acetic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)O
| PubChem CID | 11970 |
|---|---|
| CAS | 614-75-5 |
| Molecular Weight (g/mol) | 152.15 |
| ChEBI | CHEBI:28478 |
| MDL Number | MFCD00004323 |
| SMILES | C1=CC=C(C(=C1)CC(=O)O)O |
| Synonym | 2-hydroxyphenylacetic acid,2-2-hydroxyphenyl acetic acid,2-hydroxyphenyl acetic acid,benzeneacetic acid, 2-hydroxy,2-hydroxybenzeneacetic acid,o-hydroxyphenylacetic acid,acetic acid, o-hydroxyphenyl,2-hydroxyphenylacetate,o-hydroxyphenyl acetic acid,ortho-hydroxyphenylacetic acid |
| IUPAC Name | 2-(2-hydroxyphenyl)acetic acid |
| InChI Key | CCVYRRGZDBSHFU-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
3-(Trifluoromethoxy)phenol, 98%, Thermo Scientific™
CAS: 827-99-6 Molecular Formula: C7H5F3O2 Molecular Weight (g/mol): 178.11 MDL Number: MFCD00040987 InChI Key: UWLJERQTLRORJN-UHFFFAOYSA-N Synonym: 3-trifluoromethoxy phenol,m-trifluoromethoxy phenol,phenol, 3-trifluoromethoxy,3-trifluoromethoxy-phenol,3-hydroxyphenyl trifluoromethyl ether,pubchem1505,m-trifluoromethoxyphenol,pubchem10391 PubChem CID: 2733261 IUPAC Name: 3-(trifluoromethoxy)phenol SMILES: OC1=CC=CC(OC(F)(F)F)=C1
| PubChem CID | 2733261 |
|---|---|
| CAS | 827-99-6 |
| Molecular Weight (g/mol) | 178.11 |
| MDL Number | MFCD00040987 |
| SMILES | OC1=CC=CC(OC(F)(F)F)=C1 |
| Synonym | 3-trifluoromethoxy phenol,m-trifluoromethoxy phenol,phenol, 3-trifluoromethoxy,3-trifluoromethoxy-phenol,3-hydroxyphenyl trifluoromethyl ether,pubchem1505,m-trifluoromethoxyphenol,pubchem10391 |
| IUPAC Name | 3-(trifluoromethoxy)phenol |
| InChI Key | UWLJERQTLRORJN-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3O2 |