Benzene and substituted derivatives
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1,3-Bis[5-(4-tert-butylphenyl)-2-[1,3,4]oxadiazolyl]benzene 97.0+%, TCI America™
CAS: 138372-67-5 Molecular Formula: C30H30N4O2 Molecular Weight (g/mol): 478.60 MDL Number: MFCD03093214 InChI Key: FQJQNLKWTRGIEB-UHFFFAOYSA-N Synonym: 1,3-Bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzene, OXD-7 PubChem CID: 15320492 IUPAC Name: 2-(4-tert-butylphenyl)-5-{3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1,3,4-oxadiazole SMILES: CC(C)(C)C1=CC=C(C=C1)C1=NN=C(O1)C1=CC(=CC=C1)C1=NN=C(O1)C1=CC=C(C=C1)C(C)(C)C
| PubChem CID | 15320492 |
|---|---|
| CAS | 138372-67-5 |
| Molecular Weight (g/mol) | 478.60 |
| MDL Number | MFCD03093214 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C1=NN=C(O1)C1=CC(=CC=C1)C1=NN=C(O1)C1=CC=C(C=C1)C(C)(C)C |
| Synonym | 1,3-Bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]benzene, OXD-7 |
| IUPAC Name | 2-(4-tert-butylphenyl)-5-{3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}-1,3,4-oxadiazole |
| InChI Key | FQJQNLKWTRGIEB-UHFFFAOYSA-N |
| Molecular Formula | C30H30N4O2 |
4-tert-Butylbenzylamine 98.0+%, TCI America™
CAS: 39895-55-1 Molecular Formula: C11H17N Molecular Weight (g/mol): 163.264 MDL Number: MFCD00040754 InChI Key: MPWSRGAWRAYBJK-UHFFFAOYSA-N Synonym: 4-tert-butylbenzylamine,4-tert-butylphenyl methanamine,4-t-butylbenzylamine,1-4-tert-butylphenyl methanamine,4-tert-butyl-benzylamine,4-tert-butyl phenyl methanamine,4-tert-butyl phenyl methylamine,4t-butylbenzylamine,p-t-butylbenzylamine,4-tertbutylbenzylamine PubChem CID: 2735655 IUPAC Name: (4-tert-butylphenyl)methanamine SMILES: CC(C)(C)C1=CC=C(C=C1)CN
| PubChem CID | 2735655 |
|---|---|
| CAS | 39895-55-1 |
| Molecular Weight (g/mol) | 163.264 |
| MDL Number | MFCD00040754 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)CN |
| Synonym | 4-tert-butylbenzylamine,4-tert-butylphenyl methanamine,4-t-butylbenzylamine,1-4-tert-butylphenyl methanamine,4-tert-butyl-benzylamine,4-tert-butyl phenyl methanamine,4-tert-butyl phenyl methylamine,4t-butylbenzylamine,p-t-butylbenzylamine,4-tertbutylbenzylamine |
| IUPAC Name | (4-tert-butylphenyl)methanamine |
| InChI Key | MPWSRGAWRAYBJK-UHFFFAOYSA-N |
| Molecular Formula | C11H17N |
4-tert-Butylbenzyl Alcohol 97.0+%, TCI America™
CAS: 877-65-6 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.248 MDL Number: MFCD00004662 InChI Key: FVEINXLJOJPHLH-UHFFFAOYSA-N Synonym: 4-tert-butylbenzyl alcohol,4-tert-butyl phenyl methanol,4-tert-butylphenyl methanol,4-t-butylbenzyl alcohol,p-tert-butylbenzyl alcohol,4-t-butylbenzylalcohol,benzenemethanol, 4-1,1-dimethylethyl,4-1,1-dimethylethyl benzenemethanol,4-tert-butylbenzylalcohol,p-t-butylbenzyl alcohol PubChem CID: 13416 IUPAC Name: (4-tert-butylphenyl)methanol SMILES: CC(C)(C)C1=CC=C(C=C1)CO
| PubChem CID | 13416 |
|---|---|
| CAS | 877-65-6 |
| Molecular Weight (g/mol) | 164.248 |
| MDL Number | MFCD00004662 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)CO |
| Synonym | 4-tert-butylbenzyl alcohol,4-tert-butyl phenyl methanol,4-tert-butylphenyl methanol,4-t-butylbenzyl alcohol,p-tert-butylbenzyl alcohol,4-t-butylbenzylalcohol,benzenemethanol, 4-1,1-dimethylethyl,4-1,1-dimethylethyl benzenemethanol,4-tert-butylbenzylalcohol,p-t-butylbenzyl alcohol |
| IUPAC Name | (4-tert-butylphenyl)methanol |
| InChI Key | FVEINXLJOJPHLH-UHFFFAOYSA-N |
| Molecular Formula | C11H16O |
6-[2-Propyl-4-(4-pyridylazo)phenoxy]hexanoic Acid 98.0+%, TCI America™
CAS: 312694-02-3 Molecular Formula: C20H25N3O3 Molecular Weight (g/mol): 355.438 InChI Key: RKSDFQDWVOJLAU-UHFFFAOYSA-N PubChem CID: 44629824 IUPAC Name: 6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid SMILES: CCCC1=C(C=CC(=C1)N=NC2=CC=NC=C2)OCCCCCC(=O)O
| PubChem CID | 44629824 |
|---|---|
| CAS | 312694-02-3 |
| Molecular Weight (g/mol) | 355.438 |
| SMILES | CCCC1=C(C=CC(=C1)N=NC2=CC=NC=C2)OCCCCCC(=O)O |
| IUPAC Name | 6-[2-propyl-4-(pyridin-4-yldiazenyl)phenoxy]hexanoic acid |
| InChI Key | RKSDFQDWVOJLAU-UHFFFAOYSA-N |
| Molecular Formula | C20H25N3O3 |
2-(5-tert-Butyl-2-hydroxyphenyl)benzotriazole 98.0+%, TCI America™
CAS: 3147-76-0 Molecular Formula: C16H17N3O Molecular Weight (g/mol): 267.332 MDL Number: MFCD03844795 InChI Key: WXHVQMGINBSVAY-UHFFFAOYSA-N PubChem CID: 76605 IUPAC Name: 2-(benzotriazol-2-yl)-4-tert-butylphenol SMILES: CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2
| PubChem CID | 76605 |
|---|---|
| CAS | 3147-76-0 |
| Molecular Weight (g/mol) | 267.332 |
| MDL Number | MFCD03844795 |
| SMILES | CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2 |
| IUPAC Name | 2-(benzotriazol-2-yl)-4-tert-butylphenol |
| InChI Key | WXHVQMGINBSVAY-UHFFFAOYSA-N |
| Molecular Formula | C16H17N3O |
1,4-Di-tert-butylbenzene 99.0+%, TCI America™
CAS: 1012-72-2 Molecular Formula: C14H22 Molecular Weight (g/mol): 190.33 MDL Number: MFCD00008836 InChI Key: OOWNNCMFKFBNOF-UHFFFAOYSA-N Synonym: 1,4-di-tert-butylbenzene,p-di-tert-butylbenzene,benzene, p-di-tert-butyl,benzene, 1,4-bis 1,1-dimethylethyl,unii-55ptx4kh71,bis 1,1-dimethylethyl benzene,benzene, bis 1,1-dimethylethyl,1,4-di-t-butylbenzene,acmc-2097up,1,4-bis tert-butyl benzene PubChem CID: 13895 IUPAC Name: 1,4-ditert-butylbenzene SMILES: CC(C)(C)C1=CC=C(C=C1)C(C)(C)C
| PubChem CID | 13895 |
|---|---|
| CAS | 1012-72-2 |
| Molecular Weight (g/mol) | 190.33 |
| MDL Number | MFCD00008836 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(C)(C)C |
| Synonym | 1,4-di-tert-butylbenzene,p-di-tert-butylbenzene,benzene, p-di-tert-butyl,benzene, 1,4-bis 1,1-dimethylethyl,unii-55ptx4kh71,bis 1,1-dimethylethyl benzene,benzene, bis 1,1-dimethylethyl,1,4-di-t-butylbenzene,acmc-2097up,1,4-bis tert-butyl benzene |
| IUPAC Name | 1,4-ditert-butylbenzene |
| InChI Key | OOWNNCMFKFBNOF-UHFFFAOYSA-N |
| Molecular Formula | C14H22 |
3-tert-Butylphenol 98.0+%, TCI America™
CAS: 585-34-2 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00002300 InChI Key: CYEKUDPFXBLGHH-UHFFFAOYSA-N Synonym: m-tert-butylphenol,phenol, 3-1,1-dimethylethyl,3-t-butylphenol,3-tert-butyl phenol,phenol, m-tert-butyl,3-tert-butyl-phenol,3-tertbutylphenol,3-tert.butylphenol,m-tert.-butylphenol PubChem CID: 11450 ChEBI: CHEBI:34348 IUPAC Name: 3-tert-butylphenol SMILES: CC(C)(C)C1=CC=CC(O)=C1
| PubChem CID | 11450 |
|---|---|
| CAS | 585-34-2 |
| Molecular Weight (g/mol) | 150.22 |
| ChEBI | CHEBI:34348 |
| MDL Number | MFCD00002300 |
| SMILES | CC(C)(C)C1=CC=CC(O)=C1 |
| Synonym | m-tert-butylphenol,phenol, 3-1,1-dimethylethyl,3-t-butylphenol,3-tert-butyl phenol,phenol, m-tert-butyl,3-tert-butyl-phenol,3-tertbutylphenol,3-tert.butylphenol,m-tert.-butylphenol |
| IUPAC Name | 3-tert-butylphenol |
| InChI Key | CYEKUDPFXBLGHH-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
3-Phenyl-2,4-pentanedione 98.0+%, TCI America™
CAS: 5910-25-8 Molecular Formula: C11H12O2 Molecular Weight (g/mol): 176.215 MDL Number: MFCD00048223 InChI Key: YIWTXSVNRCWBAC-UHFFFAOYSA-N Synonym: 3-Phenylacetylacetone PubChem CID: 233402 IUPAC Name: 3-phenylpentane-2,4-dione SMILES: CC(=O)C(C1=CC=CC=C1)C(=O)C
| PubChem CID | 233402 |
|---|---|
| CAS | 5910-25-8 |
| Molecular Weight (g/mol) | 176.215 |
| MDL Number | MFCD00048223 |
| SMILES | CC(=O)C(C1=CC=CC=C1)C(=O)C |
| Synonym | 3-Phenylacetylacetone |
| IUPAC Name | 3-phenylpentane-2,4-dione |
| InChI Key | YIWTXSVNRCWBAC-UHFFFAOYSA-N |
| Molecular Formula | C11H12O2 |
2-Phenylisobutyric Acid 98.0+%, TCI America™
CAS: 826-55-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00014332 InChI Key: YYEROYLAYAVZNW-UHFFFAOYSA-N Synonym: 2-methyl-2-phenylpropionic acid,2-phenylisobutyric acid,alpha,alpha-dimethylphenylacetic acid,unii-dr8huh2gyk,dimethylphenylacetic acid,dr8huh2gyk,2-methyl-2-phenyl-propionic acid,hydratropic acid, .alpha.-methyl,benzeneacetic acid,.alpha.-dimethyl,propionic acid, 2-methyl-2-phenyl PubChem CID: 13222 IUPAC Name: 2-methyl-2-phenylpropanoic acid SMILES: CC(C)(C(O)=O)C1=CC=CC=C1
| PubChem CID | 13222 |
|---|---|
| CAS | 826-55-1 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00014332 |
| SMILES | CC(C)(C(O)=O)C1=CC=CC=C1 |
| Synonym | 2-methyl-2-phenylpropionic acid,2-phenylisobutyric acid,alpha,alpha-dimethylphenylacetic acid,unii-dr8huh2gyk,dimethylphenylacetic acid,dr8huh2gyk,2-methyl-2-phenyl-propionic acid,hydratropic acid, .alpha.-methyl,benzeneacetic acid,.alpha.-dimethyl,propionic acid, 2-methyl-2-phenyl |
| IUPAC Name | 2-methyl-2-phenylpropanoic acid |
| InChI Key | YYEROYLAYAVZNW-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Potassium Monomethyl Terephthalate 95.0+%, TCI America™
CAS: 42967-55-5 Molecular Formula: C9H7KO4 Molecular Weight (g/mol): 218.249 MDL Number: MFCD00058989 InChI Key: DWNDFZTVSFSFTB-UHFFFAOYSA-M Synonym: Terephthalic Acid Monomethyl Ester Potassium Salt PubChem CID: 23683753 IUPAC Name: potassium;4-methoxycarbonylbenzoate SMILES: COC(=O)C1=CC=C(C=C1)C(=O)[O-].[K+]
| PubChem CID | 23683753 |
|---|---|
| CAS | 42967-55-5 |
| Molecular Weight (g/mol) | 218.249 |
| MDL Number | MFCD00058989 |
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)[O-].[K+] |
| Synonym | Terephthalic Acid Monomethyl Ester Potassium Salt |
| IUPAC Name | potassium;4-methoxycarbonylbenzoate |
| InChI Key | DWNDFZTVSFSFTB-UHFFFAOYSA-M |
| Molecular Formula | C9H7KO4 |
Dimethyl 1,4-Naphthalenedicarboxylate 98.0+%, TCI America™
CAS: 7487-15-2 Molecular Formula: C14H12O4 Molecular Weight (g/mol): 244.246 MDL Number: MFCD04038075 InChI Key: OCSXMIBZIHMVCP-UHFFFAOYSA-N Synonym: 1,4-Naphthalenedicarboxylic Acid Dimethyl Ester PubChem CID: 11064621 IUPAC Name: dimethyl naphthalene-1,4-dicarboxylate SMILES: COC(=O)C1=CC=C(C2=CC=CC=C21)C(=O)OC
| PubChem CID | 11064621 |
|---|---|
| CAS | 7487-15-2 |
| Molecular Weight (g/mol) | 244.246 |
| MDL Number | MFCD04038075 |
| SMILES | COC(=O)C1=CC=C(C2=CC=CC=C21)C(=O)OC |
| Synonym | 1,4-Naphthalenedicarboxylic Acid Dimethyl Ester |
| IUPAC Name | dimethyl naphthalene-1,4-dicarboxylate |
| InChI Key | OCSXMIBZIHMVCP-UHFFFAOYSA-N |
| Molecular Formula | C14H12O4 |
Dimethyl 5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isophthalate 98.0+%, TCI America™
CAS: 944392-68-1 Molecular Formula: C16H21BO6 Molecular Weight (g/mol): 320.148 MDL Number: MFCD11858596 InChI Key: IGSNWXAGFXHYOG-UHFFFAOYSA-N PubChem CID: 42614529 IUPAC Name: dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC
| PubChem CID | 42614529 |
|---|---|
| CAS | 944392-68-1 |
| Molecular Weight (g/mol) | 320.148 |
| MDL Number | MFCD11858596 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC(=C2)C(=O)OC)C(=O)OC |
| IUPAC Name | dimethyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1,3-dicarboxylate |
| InChI Key | IGSNWXAGFXHYOG-UHFFFAOYSA-N |
| Molecular Formula | C16H21BO6 |
Dimethyl Nitroterephthalate 97.0+%, TCI America™
CAS: 5292-45-5 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.18 MDL Number: MFCD00008422 InChI Key: PAYWCKGMOYQZAW-UHFFFAOYSA-N Synonym: dimethyl 2-nitroterephthalate,dimethyl nitroterephthalate,terephthalic acid, nitro-, dimethyl ester,unii-59qlu09dz4,1,4-benzenedicarboxylic acid, 2-nitro-, dimethyl ester,1,4-benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester,nitroterephthalic acid dimethyl ester,1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate,acmc-1aj3c,di-methyl nitroterephthalate PubChem CID: 21364 IUPAC Name: 1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC=C(C(=O)OC)C(=C1)[N+]([O-])=O
| PubChem CID | 21364 |
|---|---|
| CAS | 5292-45-5 |
| Molecular Weight (g/mol) | 239.18 |
| MDL Number | MFCD00008422 |
| SMILES | COC(=O)C1=CC=C(C(=O)OC)C(=C1)[N+]([O-])=O |
| Synonym | dimethyl 2-nitroterephthalate,dimethyl nitroterephthalate,terephthalic acid, nitro-, dimethyl ester,unii-59qlu09dz4,1,4-benzenedicarboxylic acid, 2-nitro-, dimethyl ester,1,4-benzenedicarboxylic acid, 2-nitro-, 1,4-dimethyl ester,nitroterephthalic acid dimethyl ester,1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate,acmc-1aj3c,di-methyl nitroterephthalate |
| IUPAC Name | 1,4-dimethyl 2-nitrobenzene-1,4-dicarboxylate |
| InChI Key | PAYWCKGMOYQZAW-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO6 |
Dimethyl 5-Nitroisophthalate, TCI America™
CAS: 13290-96-5 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.18 MDL Number: MFCD00008429 InChI Key: GGTSJKFPGKFLCZ-UHFFFAOYSA-N Synonym: dimethyl 5-nitroisophthalate,5-nitroisophthalic acid dimethyl ester,5-nitroisophthalic acid, dimethyl ester,1,3-benzenedicarboxylic acid, 5-nitro-, dimethyl ester,dimethyl 5-nitro-1,3-benzenedicarboxylate,isophthalic acid, 5-nitro-, dimethyl ester,1,3-dimethyl 5-nitrobenzene-1,3-dicarboxylate,5-nitro dimethyl isophthalate,5-nitro-1,3-benzenedicarboxylic acid dimethyl ester,1,3-benzenedicarboxylic acid, 5-nitro-, 1,3-dimethyl ester PubChem CID: 83316 IUPAC Name: 1,3-dimethyl 5-nitrobenzene-1,3-dicarboxylate SMILES: COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+]([O-])=O
| PubChem CID | 83316 |
|---|---|
| CAS | 13290-96-5 |
| Molecular Weight (g/mol) | 239.18 |
| MDL Number | MFCD00008429 |
| SMILES | COC(=O)C1=CC(=CC(=C1)C(=O)OC)[N+]([O-])=O |
| Synonym | dimethyl 5-nitroisophthalate,5-nitroisophthalic acid dimethyl ester,5-nitroisophthalic acid, dimethyl ester,1,3-benzenedicarboxylic acid, 5-nitro-, dimethyl ester,dimethyl 5-nitro-1,3-benzenedicarboxylate,isophthalic acid, 5-nitro-, dimethyl ester,1,3-dimethyl 5-nitrobenzene-1,3-dicarboxylate,5-nitro dimethyl isophthalate,5-nitro-1,3-benzenedicarboxylic acid dimethyl ester,1,3-benzenedicarboxylic acid, 5-nitro-, 1,3-dimethyl ester |
| IUPAC Name | 1,3-dimethyl 5-nitrobenzene-1,3-dicarboxylate |
| InChI Key | GGTSJKFPGKFLCZ-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO6 |
Monomethyl Terephthalate 98.0+%, TCI America™
CAS: 1679-64-7 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.159 MDL Number: MFCD00002557 InChI Key: REIDAMBAPLIATC-UHFFFAOYSA-N Synonym: 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate PubChem CID: 15513 IUPAC Name: 4-methoxycarbonylbenzoic acid SMILES: COC(=O)C1=CC=C(C=C1)C(=O)O
| PubChem CID | 15513 |
|---|---|
| CAS | 1679-64-7 |
| Molecular Weight (g/mol) | 180.159 |
| MDL Number | MFCD00002557 |
| SMILES | COC(=O)C1=CC=C(C=C1)C(=O)O |
| Synonym | 4-methoxycarbonyl benzoic acid,mono-methyl terephthalate,monomethyl terephthalate,methyl terephthalate,methyl hydrogen terephthalate,1,4-benzenedicarboxylic acid, monomethyl ester,terephthalic acid monomethyl ester,1,4-benzenedicarboxylic acid monomethyl ester,terephthalic acid, monomethyl ester,hydrogen methyl terephthalate |
| IUPAC Name | 4-methoxycarbonylbenzoic acid |
| InChI Key | REIDAMBAPLIATC-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |