Benzenoids
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Tetrakis(triphenylphosphine)palladium(0), 99.8% (metals basis), Pd 9% min
CAS: 14221-01-3 Molecular Formula: C72H60P4Pd Molecular Weight (g/mol): 1155.59 MDL Number: MFCD00010012 InChI Key: NFHFRUOZVGFOOS-UHFFFAOYSA-N PubChem CID: 11979704 SMILES: [Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 11979704 |
|---|---|
| CAS | 14221-01-3 |
| Molecular Weight (g/mol) | 1155.59 |
| MDL Number | MFCD00010012 |
| SMILES | [Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| InChI Key | NFHFRUOZVGFOOS-UHFFFAOYSA-N |
| Molecular Formula | C72H60P4Pd |
1-(4-Methylphenyl)piperazine, 98%
CAS: 39593-08-3 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.26 MDL Number: MFCD00040737 InChI Key: ONEYFZXGNFNRJH-UHFFFAOYSA-N Synonym: 1-4-methylphenyl piperazine,1-p-tolyl piperazine,1-p-tolyl-piperazine,1-4-methylphenyl-piperazine,1-4-methyl phenyl piperazine,1-p-tolylpiperazine,acmc-1adtx,4-methylphenyl piperazine,4-4-methylphenyl piperazine,1-4-methyl-phenyl-piperazine PubChem CID: 83113 IUPAC Name: 1-(4-methylphenyl)piperazine SMILES: CC1=CC=C(C=C1)N2CCNCC2
| PubChem CID | 83113 |
|---|---|
| CAS | 39593-08-3 |
| Molecular Weight (g/mol) | 176.26 |
| MDL Number | MFCD00040737 |
| SMILES | CC1=CC=C(C=C1)N2CCNCC2 |
| Synonym | 1-4-methylphenyl piperazine,1-p-tolyl piperazine,1-p-tolyl-piperazine,1-4-methylphenyl-piperazine,1-4-methyl phenyl piperazine,1-p-tolylpiperazine,acmc-1adtx,4-methylphenyl piperazine,4-4-methylphenyl piperazine,1-4-methyl-phenyl-piperazine |
| IUPAC Name | 1-(4-methylphenyl)piperazine |
| InChI Key | ONEYFZXGNFNRJH-UHFFFAOYSA-N |
| Molecular Formula | C11H16N2 |
Phenyl vinyl sulfone, 99+%
CAS: 5535-48-8 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00007554 InChI Key: UJTPZISIAWDGFF-UHFFFAOYSA-N Synonym: phenyl vinyl sulfone,vinylsulfonyl benzene,ethenesulfonyl benzene,benzene, ethenylsulfonyl,sulfone, phenyl vinyl,vinylsulfonylbenzene,phenyl vinyl sulphone,ethenylsulfonyl benzene,ethenesulfonyl-benzene,phenyl-vinylsulfon PubChem CID: 79664 IUPAC Name: ethenylsulfonylbenzene SMILES: C=CS(=O)(=O)C1=CC=CC=C1
| PubChem CID | 79664 |
|---|---|
| CAS | 5535-48-8 |
| Molecular Weight (g/mol) | 168.21 |
| MDL Number | MFCD00007554 |
| SMILES | C=CS(=O)(=O)C1=CC=CC=C1 |
| Synonym | phenyl vinyl sulfone,vinylsulfonyl benzene,ethenesulfonyl benzene,benzene, ethenylsulfonyl,sulfone, phenyl vinyl,vinylsulfonylbenzene,phenyl vinyl sulphone,ethenylsulfonyl benzene,ethenesulfonyl-benzene,phenyl-vinylsulfon |
| IUPAC Name | ethenylsulfonylbenzene |
| InChI Key | UJTPZISIAWDGFF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2S |
4,6-Di-tert-butyl-m-cresol 96.0+%, TCI America™
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CAS: 497-39-2 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 MDL Number: MFCD00059208 InChI Key: WYSSJDOPILWQDC-UHFFFAOYSA-N Synonym: 2,4-Di-tert-butyl-5-hydroxytoluene, 2,4-Di-tert-butyl-5-methylphenol PubChem CID: 10346 IUPAC Name: 2,4-ditert-butyl-5-methylphenol SMILES: CC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)O
| PubChem CID | 10346 |
|---|---|
| CAS | 497-39-2 |
| Molecular Weight (g/mol) | 220.356 |
| MDL Number | MFCD00059208 |
| SMILES | CC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)O |
| Synonym | 2,4-Di-tert-butyl-5-hydroxytoluene, 2,4-Di-tert-butyl-5-methylphenol |
| IUPAC Name | 2,4-ditert-butyl-5-methylphenol |
| InChI Key | WYSSJDOPILWQDC-UHFFFAOYSA-N |
| Molecular Formula | C15H24O |
4-Fluorobenzaldehyde 98.0+%, TCI America™
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CAS: 459-57-4 Molecular Formula: C7H5FO Molecular Weight (g/mol): 124.114 MDL Number: MFCD00003378 InChI Key: UOQXIWFBQSVDPP-UHFFFAOYSA-N Synonym: p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde PubChem CID: 68023 IUPAC Name: 4-fluorobenzaldehyde SMILES: C1=CC(=CC=C1C=O)F
| PubChem CID | 68023 |
|---|---|
| CAS | 459-57-4 |
| Molecular Weight (g/mol) | 124.114 |
| MDL Number | MFCD00003378 |
| SMILES | C1=CC(=CC=C1C=O)F |
| Synonym | p-fluorobenzaldehyde,benzaldehyde, 4-fluoro,4-fluoro-benzaldehyde,para-fluorobenzaldehyde,p-fluorbenzaldehyde,fluorobenzaldehyde 4-,benzaldehyde, p-fluoro,pfad,4-fluoro benzaldehyde,para fluoro benzaldehyde |
| IUPAC Name | 4-fluorobenzaldehyde |
| InChI Key | UOQXIWFBQSVDPP-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO |
Methyl 3-nitrobenzoate, 98+%
CAS: 618-95-1 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007250 InChI Key: AXLYJLKKPUICKV-UHFFFAOYSA-N Synonym: 3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate PubChem CID: 69260 IUPAC Name: methyl 3-nitrobenzoate SMILES: COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]
| PubChem CID | 69260 |
|---|---|
| CAS | 618-95-1 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007250 |
| SMILES | COC(=O)C1=CC(=CC=C1)[N+](=O)[O-] |
| Synonym | 3-nitrobenzoic acid methyl ester,methyl m-nitrobenzoate,methyl3-nitrobenzoate,benzoic acid, 3-nitro-, methyl ester,m-nitrobenzoic acid, methyl ester,benzoic acid, m-nitro-, methyl ester,3-nitro-benzoic acid methyl ester,3-nitro-benzoicacimethylester,acmc-209mxc,methyl 3-nitro-benzoate |
| IUPAC Name | methyl 3-nitrobenzoate |
| InChI Key | AXLYJLKKPUICKV-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |
2-Phenoxybenzeneboronic acid, 98%
CAS: 108238-09-1 Molecular Formula: C12H11BO3 Molecular Weight (g/mol): 214.03 MDL Number: MFCD01001592 InChI Key: AVOWPOFIQZSVGV-UHFFFAOYSA-N Synonym: 2-phenoxybenzeneboronic acid,2-phenoxyphenyl boronic acid,2-phenoxyphenyl boranediol,2-phenoxy phenylboronic acid,boronic acid, 2-phenoxyphenyl,pubchem9521,acmc-1bnrk,ksc174e3r,2-phenoxy-phenyl boronic acid,2-phenoxyphenylboronicacid PubChem CID: 2773559 IUPAC Name: (2-phenoxyphenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1OC1=CC=CC=C1
| PubChem CID | 2773559 |
|---|---|
| CAS | 108238-09-1 |
| Molecular Weight (g/mol) | 214.03 |
| MDL Number | MFCD01001592 |
| SMILES | OB(O)C1=CC=CC=C1OC1=CC=CC=C1 |
| Synonym | 2-phenoxybenzeneboronic acid,2-phenoxyphenyl boronic acid,2-phenoxyphenyl boranediol,2-phenoxy phenylboronic acid,boronic acid, 2-phenoxyphenyl,pubchem9521,acmc-1bnrk,ksc174e3r,2-phenoxy-phenyl boronic acid,2-phenoxyphenylboronicacid |
| IUPAC Name | (2-phenoxyphenyl)boronic acid |
| InChI Key | AVOWPOFIQZSVGV-UHFFFAOYSA-N |
| Molecular Formula | C12H11BO3 |
1,3-Diisopropylbenzene, 96%
CAS: 99-62-7 Molecular Formula: C12H18 Molecular Weight (g/mol): 162.276 MDL Number: MFCD00008889 InChI Key: UNEATYXSUBPPKP-UHFFFAOYSA-N Synonym: 1,3-diisopropylbenzene,m-diisopropylbenzene,benzene, 1,3-bis 1-methylethyl,benzene, m-diisopropyl,m-diisopropylbenzol,1,3-bis 1-methylethyl benzene,3-isopropylcumene,unii-482vxw192e,meta-diisopropylbenzene,chembl31352 PubChem CID: 7450 IUPAC Name: 1,3-di(propan-2-yl)benzene SMILES: CC(C)C1=CC(=CC=C1)C(C)C
| PubChem CID | 7450 |
|---|---|
| CAS | 99-62-7 |
| Molecular Weight (g/mol) | 162.276 |
| MDL Number | MFCD00008889 |
| SMILES | CC(C)C1=CC(=CC=C1)C(C)C |
| Synonym | 1,3-diisopropylbenzene,m-diisopropylbenzene,benzene, 1,3-bis 1-methylethyl,benzene, m-diisopropyl,m-diisopropylbenzol,1,3-bis 1-methylethyl benzene,3-isopropylcumene,unii-482vxw192e,meta-diisopropylbenzene,chembl31352 |
| IUPAC Name | 1,3-di(propan-2-yl)benzene |
| InChI Key | UNEATYXSUBPPKP-UHFFFAOYSA-N |
| Molecular Formula | C12H18 |
Methyl 4-(bromomethyl)benzoate, 98%
CAS: 2417-72-3 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00032453 InChI Key: NLWBJPPMPLPZIE-UHFFFAOYSA-N PubChem CID: 256687 IUPAC Name: methyl 4-(bromomethyl)benzoate SMILES: COC(=O)C1=CC=C(CBr)C=C1
| PubChem CID | 256687 |
|---|---|
| CAS | 2417-72-3 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00032453 |
| SMILES | COC(=O)C1=CC=C(CBr)C=C1 |
| IUPAC Name | methyl 4-(bromomethyl)benzoate |
| InChI Key | NLWBJPPMPLPZIE-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
2-Formylphenylboronic acid, 98%
CAS: 40138-16-7 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00151822 InChI Key: DGUWACLYDSWXRZ-UHFFFAOYSA-N Synonym: 2-formylphenyl boronic acid,2-formylbenzeneboronic acid,benzaldehyde-2-boronic acid,o-formylphenylboronic acid,2-boronobenzaldehyde,2-dihydroxyboryl benzaldehyde,boronic acid, 2-formylphenyl,2-benzaldehyde boronic acid,2-formylphenyl-boronic acid PubChem CID: 292189 IUPAC Name: (2-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1C=O
| PubChem CID | 292189 |
|---|---|
| CAS | 40138-16-7 |
| Molecular Weight (g/mol) | 149.94 |
| MDL Number | MFCD00151822 |
| SMILES | OB(O)C1=CC=CC=C1C=O |
| Synonym | 2-formylphenyl boronic acid,2-formylbenzeneboronic acid,benzaldehyde-2-boronic acid,o-formylphenylboronic acid,2-boronobenzaldehyde,2-dihydroxyboryl benzaldehyde,boronic acid, 2-formylphenyl,2-benzaldehyde boronic acid,2-formylphenyl-boronic acid |
| IUPAC Name | (2-formylphenyl)boronic acid |
| InChI Key | DGUWACLYDSWXRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7BO3 |
4'-Nitroacetanilide, 98%
CAS: 104-04-1 Molecular Formula: C8H8N2O3 Molecular Weight (g/mol): 180.163 MDL Number: MFCD00007303 InChI Key: NQRLPDFELNCFHW-UHFFFAOYSA-N Synonym: 4'-nitroacetanilide,n-4-nitrophenyl acetamide,4-nitroacetanilide,p-nitroacetanilide,acetamide, n-4-nitrophenyl,n-acetyl-4-nitroaniline,p-acetamidonitrobenzene,acetanilide, p-nitro,p-nitrophenylacetanilide,n-acetyl-p-nitroaniline PubChem CID: 7691 IUPAC Name: N-(4-nitrophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 7691 |
|---|---|
| CAS | 104-04-1 |
| Molecular Weight (g/mol) | 180.163 |
| MDL Number | MFCD00007303 |
| SMILES | CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | 4'-nitroacetanilide,n-4-nitrophenyl acetamide,4-nitroacetanilide,p-nitroacetanilide,acetamide, n-4-nitrophenyl,n-acetyl-4-nitroaniline,p-acetamidonitrobenzene,acetanilide, p-nitro,p-nitrophenylacetanilide,n-acetyl-p-nitroaniline |
| IUPAC Name | N-(4-nitrophenyl)acetamide |
| InChI Key | NQRLPDFELNCFHW-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O3 |
2-Amino-4-nitrophenol, 98%, Thermo Scientific Chemicals
CAS: 99-57-0 Molecular Formula: C6H6N2O3 Molecular Weight (g/mol): 154.13 MDL Number: MFCD00007695 InChI Key: VLZVIIYRNMWPSN-UHFFFAOYSA-N Synonym: 2-hydroxy-5-nitroaniline,phenol, 2-amino-4-nitro,4-nitro-2-aminophenol,p-nitro-o-aminophenol,4-nitro-2-aminofenol,p-nitroaminofenol,3-amino-4-hydroxynitrobenzene,1-nitro-3-amino-4-hydroxybenzene,rodol 42,2-amino-4-nitrofenol PubChem CID: 3613389 ChEBI: CHEBI:82383 IUPAC Name: 2-amino-4-nitrophenol SMILES: NC1=CC(=CC=C1O)[N+]([O-])=O
| PubChem CID | 3613389 |
|---|---|
| CAS | 99-57-0 |
| Molecular Weight (g/mol) | 154.13 |
| ChEBI | CHEBI:82383 |
| MDL Number | MFCD00007695 |
| SMILES | NC1=CC(=CC=C1O)[N+]([O-])=O |
| Synonym | 2-hydroxy-5-nitroaniline,phenol, 2-amino-4-nitro,4-nitro-2-aminophenol,p-nitro-o-aminophenol,4-nitro-2-aminofenol,p-nitroaminofenol,3-amino-4-hydroxynitrobenzene,1-nitro-3-amino-4-hydroxybenzene,rodol 42,2-amino-4-nitrofenol |
| IUPAC Name | 2-amino-4-nitrophenol |
| InChI Key | VLZVIIYRNMWPSN-UHFFFAOYSA-N |
| Molecular Formula | C6H6N2O3 |
2-Hydroxybenzylamine, 98%
CAS: 932-30-9 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.15 MDL Number: MFCD00870498 InChI Key: KPRZOPQOBJRYSW-UHFFFAOYSA-N Synonym: 2-aminomethyl phenol,2-hydroxybenzylamine,phenol, 2-aminomethyl,o-hydroxybenzylamine,2-hydroxyphenyl methylamine,unii-696r5n4nrm,salicylamine,aminomethyl phenol,o-aminomethylphenol,o-hydroxy-benzylamine PubChem CID: 70267 IUPAC Name: 2-(aminomethyl)phenol SMILES: C1=CC=C(C(=C1)CN)O
| PubChem CID | 70267 |
|---|---|
| CAS | 932-30-9 |
| Molecular Weight (g/mol) | 123.15 |
| MDL Number | MFCD00870498 |
| SMILES | C1=CC=C(C(=C1)CN)O |
| Synonym | 2-aminomethyl phenol,2-hydroxybenzylamine,phenol, 2-aminomethyl,o-hydroxybenzylamine,2-hydroxyphenyl methylamine,unii-696r5n4nrm,salicylamine,aminomethyl phenol,o-aminomethylphenol,o-hydroxy-benzylamine |
| IUPAC Name | 2-(aminomethyl)phenol |
| InChI Key | KPRZOPQOBJRYSW-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
Biphenyl-4-carboxylic acid, 98%
CAS: 92-92-2 Molecular Formula: C13H10O2 Molecular Weight (g/mol): 198.221 MDL Number: MFCD00002553 InChI Key: NNJMFJSKMRYHSR-UHFFFAOYSA-N Synonym: 4-biphenylcarboxylic acid,biphenyl-4-carboxylic acid,1,1'-biphenyl-4-carboxylic acid,p-phenylbenzoic acid,4-carboxybiphenyl,para phenyl benzoic acid,4-diphenylcarboxylic acid,diphenyl-4-carboxylic acid,4-carboxy-1,1'-biphenyl PubChem CID: 66724 IUPAC Name: 4-phenylbenzoic acid SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
| PubChem CID | 66724 |
|---|---|
| CAS | 92-92-2 |
| Molecular Weight (g/mol) | 198.221 |
| MDL Number | MFCD00002553 |
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O |
| Synonym | 4-biphenylcarboxylic acid,biphenyl-4-carboxylic acid,1,1'-biphenyl-4-carboxylic acid,p-phenylbenzoic acid,4-carboxybiphenyl,para phenyl benzoic acid,4-diphenylcarboxylic acid,diphenyl-4-carboxylic acid,4-carboxy-1,1'-biphenyl |
| IUPAC Name | 4-phenylbenzoic acid |
| InChI Key | NNJMFJSKMRYHSR-UHFFFAOYSA-N |
| Molecular Formula | C13H10O2 |
4,4'-Biphenyldicarboxylic acid, 98%
CAS: 787-70-2 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00002554 InChI Key: NEQFBGHQPUXOFH-UHFFFAOYSA-N Synonym: biphenyl-4,4'-dicarboxylic acid,4,4'-biphenyldicarboxylic acid,1,1'-biphenyl-4,4'-dicarboxylic acid,4-4-carboxyphenyl benzoic acid,4,4'-bibenzoic acid,4,4'-diphenic acid,4,4'-dicarboxybiphenyl,p,p'-diphenic acid,usaf do-69,bibenzoic acid PubChem CID: 13084 IUPAC Name: 4-(4-carboxyphenyl)benzoic acid SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O
| PubChem CID | 13084 |
|---|---|
| CAS | 787-70-2 |
| Molecular Weight (g/mol) | 242.23 |
| MDL Number | MFCD00002554 |
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O |
| Synonym | biphenyl-4,4'-dicarboxylic acid,4,4'-biphenyldicarboxylic acid,1,1'-biphenyl-4,4'-dicarboxylic acid,4-4-carboxyphenyl benzoic acid,4,4'-bibenzoic acid,4,4'-diphenic acid,4,4'-dicarboxybiphenyl,p,p'-diphenic acid,usaf do-69,bibenzoic acid |
| IUPAC Name | 4-(4-carboxyphenyl)benzoic acid |
| InChI Key | NEQFBGHQPUXOFH-UHFFFAOYSA-N |
| Molecular Formula | C14H10O4 |