Benzene and substituted derivatives
Filtered Search Results
| CAS | 3394-05-6 |
|---|---|
| MDL Number | MFCD00022167 |
4-Nitroanisole, 97%
CAS: 100-17-4 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007327 InChI Key: BNUHAJGCKIQFGE-UHFFFAOYSA-N Synonym: 4-nitroanisole,p-nitroanisole,4-methoxynitrobenzene,p-methoxynitrobenzene,benzene, 1-methoxy-4-nitro,nitroanisole,p-nitroanisol,anisole, p-nitro,4-nitrophenyl methyl ether,unii-g989z7wolh PubChem CID: 7485 ChEBI: CHEBI:1911 IUPAC Name: 1-methoxy-4-nitrobenzene SMILES: COC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 7485 |
|---|---|
| CAS | 100-17-4 |
| Molecular Weight (g/mol) | 153.14 |
| ChEBI | CHEBI:1911 |
| MDL Number | MFCD00007327 |
| SMILES | COC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 4-nitroanisole,p-nitroanisole,4-methoxynitrobenzene,p-methoxynitrobenzene,benzene, 1-methoxy-4-nitro,nitroanisole,p-nitroanisol,anisole, p-nitro,4-nitrophenyl methyl ether,unii-g989z7wolh |
| IUPAC Name | 1-methoxy-4-nitrobenzene |
| InChI Key | BNUHAJGCKIQFGE-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
3-tert-Butylaniline, 97%
CAS: 5369-19-7 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.24 MDL Number: MFCD00125078 InChI Key: DPKTVUKEPNBABS-UHFFFAOYSA-N Synonym: 3-tert-butyl aniline,3-tert-butylbenzenamine,benzenamine, 3-1,1-dimethylethyl,3-t-butyl aniline,3-tert-butyl-phenylamine,3-tert-butyl phenylamine,3-tert-butylphenyl amine,m-t-butylaniline,3-t-butylaniline,m-tert-butylaniline PubChem CID: 79334 IUPAC Name: 3-tert-butylaniline SMILES: CC(C)(C)C1=CC=CC(N)=C1
| PubChem CID | 79334 |
|---|---|
| CAS | 5369-19-7 |
| Molecular Weight (g/mol) | 149.24 |
| MDL Number | MFCD00125078 |
| SMILES | CC(C)(C)C1=CC=CC(N)=C1 |
| Synonym | 3-tert-butyl aniline,3-tert-butylbenzenamine,benzenamine, 3-1,1-dimethylethyl,3-t-butyl aniline,3-tert-butyl-phenylamine,3-tert-butyl phenylamine,3-tert-butylphenyl amine,m-t-butylaniline,3-t-butylaniline,m-tert-butylaniline |
| IUPAC Name | 3-tert-butylaniline |
| InChI Key | DPKTVUKEPNBABS-UHFFFAOYSA-N |
| Molecular Formula | C10H15N |
1-Phenyl-2-propanol, 98%
CAS: 14898-87-4 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.19 MDL Number: MFCD00004540 InChI Key: WYTRYIUQUDTGSX-UHFFFAOYNA-N Synonym: 1-phenyl-2-propanol,benzyl methyl carbinol,2-hydroxy-1-phenylpropane,benzylmethylcarbinol,2-propanol, 1-phenyl,benzeneethanol, .alpha.-methyl,alpha-methyl-phenethyl alcohol,benzeneethanol, alpha-methyl,alpha-methylbenzeneethanol,.alpha.-methylphenethyl alcohol PubChem CID: 94185 IUPAC Name: 1-phenylpropan-2-ol SMILES: CC(O)CC1=CC=CC=C1
| PubChem CID | 94185 |
|---|---|
| CAS | 14898-87-4 |
| Molecular Weight (g/mol) | 136.19 |
| MDL Number | MFCD00004540 |
| SMILES | CC(O)CC1=CC=CC=C1 |
| Synonym | 1-phenyl-2-propanol,benzyl methyl carbinol,2-hydroxy-1-phenylpropane,benzylmethylcarbinol,2-propanol, 1-phenyl,benzeneethanol, .alpha.-methyl,alpha-methyl-phenethyl alcohol,benzeneethanol, alpha-methyl,alpha-methylbenzeneethanol,.alpha.-methylphenethyl alcohol |
| IUPAC Name | 1-phenylpropan-2-ol |
| InChI Key | WYTRYIUQUDTGSX-UHFFFAOYNA-N |
| Molecular Formula | C9H12O |
4-n-Propylphenylmagnesium bromide, 0.5M solution in THF, AcroSeal™, Thermo Scientific™
CAS: 87942-08-3 Molecular Formula: C9H11BrMg Molecular Weight (g/mol): 223.40 MDL Number: MFCD01311466 InChI Key: HFPDWJMICZDKNO-UHFFFAOYSA-M Synonym: 4-n-propylphenylmagnesium bromide,bromo 4-propylphenyl magnesium,p-n-propylphenylmagnesium bromide,4-propylphenyl magnesium bromide,hfpdwjmiczdkno-uhfffaoysa-m,4-n-propylphenylmagnesium bromide solution,4-n-propylphenylmagnesium bromide, 0.50 m in 2-methf,4-n-propylphenylmagnesium bromide 0.5 m in tetrahydrofuran,4-n-propylphenylmagnesium bromide solution, 0.5 m in thf,grignard reagent PubChem CID: 15268794 IUPAC Name: magnesium;propylbenzene;bromide SMILES: CCCC1=CC=C([Mg]Br)C=C1
| PubChem CID | 15268794 |
|---|---|
| CAS | 87942-08-3 |
| Molecular Weight (g/mol) | 223.40 |
| MDL Number | MFCD01311466 |
| SMILES | CCCC1=CC=C([Mg]Br)C=C1 |
| Synonym | 4-n-propylphenylmagnesium bromide,bromo 4-propylphenyl magnesium,p-n-propylphenylmagnesium bromide,4-propylphenyl magnesium bromide,hfpdwjmiczdkno-uhfffaoysa-m,4-n-propylphenylmagnesium bromide solution,4-n-propylphenylmagnesium bromide, 0.50 m in 2-methf,4-n-propylphenylmagnesium bromide 0.5 m in tetrahydrofuran,4-n-propylphenylmagnesium bromide solution, 0.5 m in thf,grignard reagent |
| IUPAC Name | magnesium;propylbenzene;bromide |
| InChI Key | HFPDWJMICZDKNO-UHFFFAOYSA-M |
| Molecular Formula | C9H11BrMg |
Tyrphostin A9, 98+%
CAS: 10537-47-0 Molecular Formula: C18H22N2O Molecular Weight (g/mol): 282.387 MDL Number: MFCD00209853 InChI Key: MZOPWQKISXCCTP-UHFFFAOYSA-N Synonym: tyrphostin a9,malonoben,tyrphostin 9,malonoben ansi,caswell no. 291aa,2-3,5-di-tert-butyl-4-hydroxybenzylidene malononitrile,unii-87te8mrs65,tyrphostin 9/ag-9,3,5-di-t-butyl-4-hydroxybenzylidene malononitrile,epa pesticide chemical code 537200 PubChem CID: 5614 ChEBI: CHEBI:82168 IUPAC Name: 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N
| PubChem CID | 5614 |
|---|---|
| CAS | 10537-47-0 |
| Molecular Weight (g/mol) | 282.387 |
| ChEBI | CHEBI:82168 |
| MDL Number | MFCD00209853 |
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C=C(C#N)C#N |
| Synonym | tyrphostin a9,malonoben,tyrphostin 9,malonoben ansi,caswell no. 291aa,2-3,5-di-tert-butyl-4-hydroxybenzylidene malononitrile,unii-87te8mrs65,tyrphostin 9/ag-9,3,5-di-t-butyl-4-hydroxybenzylidene malononitrile,epa pesticide chemical code 537200 |
| IUPAC Name | 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]propanedinitrile |
| InChI Key | MZOPWQKISXCCTP-UHFFFAOYSA-N |
| Molecular Formula | C18H22N2O |
2,5-Di-tert-butylhydroquinone, 98+%
CAS: 88-58-4 Molecular Formula: C14H22O2 Molecular Weight (g/mol): 222.33 MDL Number: MFCD00008825 InChI Key: JZODKRWQWUWGCD-UHFFFAOYSA-N Synonym: 2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone PubChem CID: 2374 ChEBI: CHEBI:41094 IUPAC Name: 2,5-ditert-butylbenzene-1,4-diol SMILES: CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C
| PubChem CID | 2374 |
|---|---|
| CAS | 88-58-4 |
| Molecular Weight (g/mol) | 222.33 |
| ChEBI | CHEBI:41094 |
| MDL Number | MFCD00008825 |
| SMILES | CC(C)(C)C1=CC(O)=C(C=C1O)C(C)(C)C |
| Synonym | 2,5-di-tert-butylhydroquinone,2,5-di-tert-butylbenzene-1,4-diol,dibug,dtbhq,dybug,santovar o,di-t-butylhydroquinone,2,5-di-tert-butylquinol,nonflex alba,2,5-di-t-butylhydroquinone |
| IUPAC Name | 2,5-ditert-butylbenzene-1,4-diol |
| InChI Key | JZODKRWQWUWGCD-UHFFFAOYSA-N |
| Molecular Formula | C14H22O2 |
1,3-Di-tert-butylbenzene, 99%
CAS: 1014-60-4 Molecular Formula: C14H22 Molecular Weight (g/mol): 190.33 MDL Number: MFCD00008830 InChI Key: ILNDSSCEZZFNGE-UHFFFAOYSA-N Synonym: 1,3-di-tert-butylbenzene,benzene, 1,3-bis 1,1-dimethylethyl,benzene, m-di-tert-butyl,m-di-tert-butylbenzene,1,3-di-t-butylbenzene,1,3-ditert-butyl-benzene,1,3-ditertiarybutylbenzene,1,3-di-tert-butyl-benzene,acmc-1bo58,1,3-bis tert-butyl benzene PubChem CID: 136810 IUPAC Name: 1,3-ditert-butylbenzene SMILES: CC(C)(C)C1=CC(=CC=C1)C(C)(C)C
| PubChem CID | 136810 |
|---|---|
| CAS | 1014-60-4 |
| Molecular Weight (g/mol) | 190.33 |
| MDL Number | MFCD00008830 |
| SMILES | CC(C)(C)C1=CC(=CC=C1)C(C)(C)C |
| Synonym | 1,3-di-tert-butylbenzene,benzene, 1,3-bis 1,1-dimethylethyl,benzene, m-di-tert-butyl,m-di-tert-butylbenzene,1,3-di-t-butylbenzene,1,3-ditert-butyl-benzene,1,3-ditertiarybutylbenzene,1,3-di-tert-butyl-benzene,acmc-1bo58,1,3-bis tert-butyl benzene |
| IUPAC Name | 1,3-ditert-butylbenzene |
| InChI Key | ILNDSSCEZZFNGE-UHFFFAOYSA-N |
| Molecular Formula | C14H22 |
4-Vinylbenzyl acetate, 95%, stabilized
CAS: 1592-12-7 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.22 MDL Number: MFCD00078265 InChI Key: LEIKPUSDAWATBV-UHFFFAOYSA-N Synonym: 4-vinylbenzyl acetate,4-ethenylphenyl methyl acetate,4-acetoxymethylstyrene,4-vinylbenzylacetate,p-acetoxymethylstyrene,4-vinylphenyl methyl acetate,4-ethenylbenzenemethanol acetate,benzenemethanol,4-ethenyl-, 1-acetate PubChem CID: 2735161 IUPAC Name: (4-ethenylphenyl)methyl acetate SMILES: CC(=O)OCC1=CC=C(C=C)C=C1
| PubChem CID | 2735161 |
|---|---|
| CAS | 1592-12-7 |
| Molecular Weight (g/mol) | 176.22 |
| MDL Number | MFCD00078265 |
| SMILES | CC(=O)OCC1=CC=C(C=C)C=C1 |
| Synonym | 4-vinylbenzyl acetate,4-ethenylphenyl methyl acetate,4-acetoxymethylstyrene,4-vinylbenzylacetate,p-acetoxymethylstyrene,4-vinylphenyl methyl acetate,4-ethenylbenzenemethanol acetate,benzenemethanol,4-ethenyl-, 1-acetate |
| IUPAC Name | (4-ethenylphenyl)methyl acetate |
| InChI Key | LEIKPUSDAWATBV-UHFFFAOYSA-N |
| Molecular Formula | C11H12O2 |
trans-Styrylacetic acid, 96%
CAS: 1914-58-5 Molecular Formula: C10H10O2 Molecular Weight (g/mol): 162.19 MDL Number: MFCD00002783 InChI Key: PSCXFXNEYIHJST-QPJJXVBHSA-N Synonym: trans-styrylacetic acid,e-4-phenylbut-3-enoic acid,3e-4-phenylbut-3-enoic acid,4-phenyl-3-butenoic acid,3-butenoic acid, 4-phenyl,3-butenoic acid, 4-phenyl-, 3e,styrylacetic acid,e-4-phenyl-3-butenoic acid,e-styrylacetic acid PubChem CID: 5370625 SMILES: OC(=O)C\C=C\C1=CC=CC=C1
| PubChem CID | 5370625 |
|---|---|
| CAS | 1914-58-5 |
| Molecular Weight (g/mol) | 162.19 |
| MDL Number | MFCD00002783 |
| SMILES | OC(=O)C\C=C\C1=CC=CC=C1 |
| Synonym | trans-styrylacetic acid,e-4-phenylbut-3-enoic acid,3e-4-phenylbut-3-enoic acid,4-phenyl-3-butenoic acid,3-butenoic acid, 4-phenyl,3-butenoic acid, 4-phenyl-, 3e,styrylacetic acid,e-4-phenyl-3-butenoic acid,e-styrylacetic acid |
| InChI Key | PSCXFXNEYIHJST-QPJJXVBHSA-N |
| Molecular Formula | C10H10O2 |
Cinnamaldoxime, (E)+(Z), 98%
CAS: 13372-81-1 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00019969 InChI Key: RUQDOYIAKHIMAN-DAAQNPAKSA-N Synonym: cinnamaldehyde oxime,3-phenylacrylaldehyde oxime,phenylacrylaldehyde oxime,e-n-2e-3-phenylprop-2-en-1-ylidene hydroxylamine,n-hydroxy-3-phenylprop-2-en-1-imine,n-3-phenylprop-2-en-1-ylidene hydroxylamine,3-phenylpropenal oxime,benzeneacrylaldehydeoxime,3-phenyl-2-propenal oxime,cinnamaldoxime, e + z PubChem CID: 9561350 IUPAC Name: (NE)-N-[(E)-3-phenylprop-2-enylidene]hydroxylamine SMILES: O\N=C\C=C\C1=CC=CC=C1
| PubChem CID | 9561350 |
|---|---|
| CAS | 13372-81-1 |
| Molecular Weight (g/mol) | 147.18 |
| MDL Number | MFCD00019969 |
| SMILES | O\N=C\C=C\C1=CC=CC=C1 |
| Synonym | cinnamaldehyde oxime,3-phenylacrylaldehyde oxime,phenylacrylaldehyde oxime,e-n-2e-3-phenylprop-2-en-1-ylidene hydroxylamine,n-hydroxy-3-phenylprop-2-en-1-imine,n-3-phenylprop-2-en-1-ylidene hydroxylamine,3-phenylpropenal oxime,benzeneacrylaldehydeoxime,3-phenyl-2-propenal oxime,cinnamaldoxime, e + z |
| IUPAC Name | (NE)-N-[(E)-3-phenylprop-2-enylidene]hydroxylamine |
| InChI Key | RUQDOYIAKHIMAN-DAAQNPAKSA-N |
| Molecular Formula | C9H9NO |
4-Vinylaniline, 90%, technical, stabilized
CAS: 1520-21-4 Molecular Formula: C8H9N Molecular Weight (g/mol): 119.17 MDL Number: MFCD00015329 InChI Key: LBSXSAXOLABXMF-UHFFFAOYSA-N Synonym: 4-vinylaniline,4-aminostyrene,p-aminostyrene,benzenamine, 4-ethenyl,4-aminostryene,ccris 4326,benzenamine,4-ethenyl,p-vinylaniline,p-amino styrene,para-aminostyrene PubChem CID: 73700 IUPAC Name: 4-ethenylaniline SMILES: C=CC1=CC=C(C=C1)N
| PubChem CID | 73700 |
|---|---|
| CAS | 1520-21-4 |
| Molecular Weight (g/mol) | 119.17 |
| MDL Number | MFCD00015329 |
| SMILES | C=CC1=CC=C(C=C1)N |
| Synonym | 4-vinylaniline,4-aminostyrene,p-aminostyrene,benzenamine, 4-ethenyl,4-aminostryene,ccris 4326,benzenamine,4-ethenyl,p-vinylaniline,p-amino styrene,para-aminostyrene |
| IUPAC Name | 4-ethenylaniline |
| InChI Key | LBSXSAXOLABXMF-UHFFFAOYSA-N |
| Molecular Formula | C8H9N |
1-Phenylvinylboronic acid pinacol ester, 95%, Thermo Scientific Chemicals
CAS: 143825-84-7 Molecular Formula: C14H19BO2 Molecular Weight (g/mol): 230.114 MDL Number: MFCD06659923 InChI Key: RMGBWPMWUZSIMH-UHFFFAOYSA-N Synonym: 4,4,5,5-tetramethyl-2-1-phenylvinyl-1,3,2-dioxaborolane,1-phenylvinylboronic acid pinacol ester,2-1-phenylethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-1-phenylethenyl-1,3,2-dioxaborolane,1-phenylvinylboronic acid, pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-1-phenylethenyl,1-phenylvinylboronic acid pinacolester,2-1-phenylvinyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane,2-1-phenylvinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane PubChem CID: 11031671 IUPAC Name: 4,4,5,5-tetramethyl-2-(1-phenylethenyl)-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C(=C)C2=CC=CC=C2
| PubChem CID | 11031671 |
|---|---|
| CAS | 143825-84-7 |
| Molecular Weight (g/mol) | 230.114 |
| MDL Number | MFCD06659923 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C(=C)C2=CC=CC=C2 |
| Synonym | 4,4,5,5-tetramethyl-2-1-phenylvinyl-1,3,2-dioxaborolane,1-phenylvinylboronic acid pinacol ester,2-1-phenylethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4,4,5,5-tetramethyl-2-1-phenylethenyl-1,3,2-dioxaborolane,1-phenylvinylboronic acid, pinacol ester,1,3,2-dioxaborolane, 4,4,5,5-tetramethyl-2-1-phenylethenyl,1-phenylvinylboronic acid pinacolester,2-1-phenylvinyl-4,4,5,5-tetramethyl-1,3,2 dioxaborolane,2-1-phenylvinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| IUPAC Name | 4,4,5,5-tetramethyl-2-(1-phenylethenyl)-1,3,2-dioxaborolane |
| InChI Key | RMGBWPMWUZSIMH-UHFFFAOYSA-N |
| Molecular Formula | C14H19BO2 |
2-Vinylbenzoic acid, 96%
CAS: 27326-43-8 Molecular Formula: C9H8O2 Molecular Weight (g/mol): 148.161 MDL Number: MFCD02066273 InChI Key: XUDBVJCTLZTSDC-UHFFFAOYSA-N PubChem CID: 3015504 IUPAC Name: 2-ethenylbenzoic acid SMILES: C=CC1=CC=CC=C1C(=O)O
| PubChem CID | 3015504 |
|---|---|
| CAS | 27326-43-8 |
| Molecular Weight (g/mol) | 148.161 |
| MDL Number | MFCD02066273 |
| SMILES | C=CC1=CC=CC=C1C(=O)O |
| IUPAC Name | 2-ethenylbenzoic acid |
| InChI Key | XUDBVJCTLZTSDC-UHFFFAOYSA-N |
| Molecular Formula | C9H8O2 |
2-Chloro-beta-nitrostyrene, 98%
CAS: 3156-34-1 Molecular Formula: C8H6ClNO2 Molecular Weight (g/mol): 183.591 MDL Number: MFCD00024820 InChI Key: QHKJTRDWAZGBLR-AATRIKPKSA-N Synonym: 1-chloro-2-2-nitrovinyl benzene,2-chloro-omega-nitrostyrene,2-chloro-b-nitrostyrene,e-1-chloro-2-2-nitrovinyl benzene,1-chloro-2-e-2-nitrovinyl benzene,trans-2-chloro-beta-nitrostyrene,2-chloro-beta-nitrostyrene,styrene, o-chloro-.beta.-nitro,benzene,1-chloro-2-2-nitroethenyl,1-chloro-2-e-2-nitroethenyl benzene PubChem CID: 5369313 IUPAC Name: 1-chloro-2-[(E)-2-nitroethenyl]benzene SMILES: C1=CC=C(C(=C1)C=C[N+](=O)[O-])Cl
| PubChem CID | 5369313 |
|---|---|
| CAS | 3156-34-1 |
| Molecular Weight (g/mol) | 183.591 |
| MDL Number | MFCD00024820 |
| SMILES | C1=CC=C(C(=C1)C=C[N+](=O)[O-])Cl |
| Synonym | 1-chloro-2-2-nitrovinyl benzene,2-chloro-omega-nitrostyrene,2-chloro-b-nitrostyrene,e-1-chloro-2-2-nitrovinyl benzene,1-chloro-2-e-2-nitrovinyl benzene,trans-2-chloro-beta-nitrostyrene,2-chloro-beta-nitrostyrene,styrene, o-chloro-.beta.-nitro,benzene,1-chloro-2-2-nitroethenyl,1-chloro-2-e-2-nitroethenyl benzene |
| IUPAC Name | 1-chloro-2-[(E)-2-nitroethenyl]benzene |
| InChI Key | QHKJTRDWAZGBLR-AATRIKPKSA-N |
| Molecular Formula | C8H6ClNO2 |