Benzene and substituted derivatives
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2-Ethoxyphenylacetic Acid 98.0+%, TCI America™
CAS: 70289-12-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00016824 InChI Key: ABROWERIMKBDEW-UHFFFAOYSA-N PubChem CID: 144397 IUPAC Name: 2-(2-ethoxyphenyl)acetic acid SMILES: CCOC1=CC=CC=C1CC(O)=O
| PubChem CID | 144397 |
|---|---|
| CAS | 70289-12-2 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD00016824 |
| SMILES | CCOC1=CC=CC=C1CC(O)=O |
| IUPAC Name | 2-(2-ethoxyphenyl)acetic acid |
| InChI Key | ABROWERIMKBDEW-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Pentafluorobenzene 98.0+%, TCI America™
CAS: 363-72-4 Molecular Formula: C6HF5 Molecular Weight (g/mol): 168.07 MDL Number: MFCD00000286 InChI Key: WACNXHCZHTVBJM-UHFFFAOYSA-N Synonym: pentafluorobenzene,benzene, pentafluoro,unii-ih36lu53xs,benzene, 1,2,3,4,5-pentafluoro,2,3,4,5,6-pentafluorobenzene,ih36lu53xs,1,2,3,4,5-pentafluoro-benzene,pentafluorophenyl,benzenepentafluoride,pubchem2310 PubChem CID: 9696 IUPAC Name: 1,2,3,4,5-pentafluorobenzene SMILES: FC1=CC(F)=C(F)C(F)=C1F
| PubChem CID | 9696 |
|---|---|
| CAS | 363-72-4 |
| Molecular Weight (g/mol) | 168.07 |
| MDL Number | MFCD00000286 |
| SMILES | FC1=CC(F)=C(F)C(F)=C1F |
| Synonym | pentafluorobenzene,benzene, pentafluoro,unii-ih36lu53xs,benzene, 1,2,3,4,5-pentafluoro,2,3,4,5,6-pentafluorobenzene,ih36lu53xs,1,2,3,4,5-pentafluoro-benzene,pentafluorophenyl,benzenepentafluoride,pubchem2310 |
| IUPAC Name | 1,2,3,4,5-pentafluorobenzene |
| InChI Key | WACNXHCZHTVBJM-UHFFFAOYSA-N |
| Molecular Formula | C6HF5 |
4-Vinylbenzylamine (stabilized with MEHQ) 92.0+%, TCI America™
CAS: 50325-49-0 Molecular Formula: C9H11N Molecular Weight (g/mol): 133.194 MDL Number: MFCD08704374 InChI Key: WAVDSLLYAQBITE-UHFFFAOYSA-N Synonym: 4-(Aminomethyl)styrene PubChem CID: 11073466 IUPAC Name: (4-ethenylphenyl)methanamine SMILES: C=CC1=CC=C(C=C1)CN
| PubChem CID | 11073466 |
|---|---|
| CAS | 50325-49-0 |
| Molecular Weight (g/mol) | 133.194 |
| MDL Number | MFCD08704374 |
| SMILES | C=CC1=CC=C(C=C1)CN |
| Synonym | 4-(Aminomethyl)styrene |
| IUPAC Name | (4-ethenylphenyl)methanamine |
| InChI Key | WAVDSLLYAQBITE-UHFFFAOYSA-N |
| Molecular Formula | C9H11N |
4-(Trifluoromethoxy)benzonitrile 98.0+%, TCI America™
CAS: 332-25-2 Molecular Formula: C8H4F3NO Molecular Weight (g/mol): 187.121 MDL Number: MFCD00039474 InChI Key: XWHIXOMWXCHJPP-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy benzonitrile,benzonitrile, 4-trifluoromethoxy,p-trifluoromethoxybenzonitrile,p-cyanotrifluoromethoxybenzene,p-trifluoromethoxy benzonitrile,1-cyano-4-trifluoromethoxy benzene,ncr doxfff,4-trifluoromethoxy benzenecarbonitrile,pubchem4826,acmc-1coco PubChem CID: 67621 IUPAC Name: 4-(trifluoromethoxy)benzonitrile SMILES: C1=CC(=CC=C1C#N)OC(F)(F)F
| PubChem CID | 67621 |
|---|---|
| CAS | 332-25-2 |
| Molecular Weight (g/mol) | 187.121 |
| MDL Number | MFCD00039474 |
| SMILES | C1=CC(=CC=C1C#N)OC(F)(F)F |
| Synonym | 4-trifluoromethoxy benzonitrile,benzonitrile, 4-trifluoromethoxy,p-trifluoromethoxybenzonitrile,p-cyanotrifluoromethoxybenzene,p-trifluoromethoxy benzonitrile,1-cyano-4-trifluoromethoxy benzene,ncr doxfff,4-trifluoromethoxy benzenecarbonitrile,pubchem4826,acmc-1coco |
| IUPAC Name | 4-(trifluoromethoxy)benzonitrile |
| InChI Key | XWHIXOMWXCHJPP-UHFFFAOYSA-N |
| Molecular Formula | C8H4F3NO |
2,4,6-Trifluorobenzoic Acid 98.0+%, TCI America™
CAS: 28314-80-9 Molecular Formula: C7H3F3O2 Molecular Weight (g/mol): 176.094 MDL Number: MFCD00042398 InChI Key: SJZATRRXUILGHH-UHFFFAOYSA-N Synonym: benzoic acid, 2,4,6-trifluoro,2,4,6-trifluorobenzoicacid,the derivatives,2,4,6-trifluorobenzioc acid,pubchem1347,acmc-209h1r,ksc204g9t,2,4,6-trifluoro-benzoic acid,rarechem al bo 0448,benzoicacid, 2,4,6-trifluoro PubChem CID: 520373 IUPAC Name: 2,4,6-trifluorobenzoic acid SMILES: C1=C(C=C(C(=C1F)C(=O)O)F)F
| PubChem CID | 520373 |
|---|---|
| CAS | 28314-80-9 |
| Molecular Weight (g/mol) | 176.094 |
| MDL Number | MFCD00042398 |
| SMILES | C1=C(C=C(C(=C1F)C(=O)O)F)F |
| Synonym | benzoic acid, 2,4,6-trifluoro,2,4,6-trifluorobenzoicacid,the derivatives,2,4,6-trifluorobenzioc acid,pubchem1347,acmc-209h1r,ksc204g9t,2,4,6-trifluoro-benzoic acid,rarechem al bo 0448,benzoicacid, 2,4,6-trifluoro |
| IUPAC Name | 2,4,6-trifluorobenzoic acid |
| InChI Key | SJZATRRXUILGHH-UHFFFAOYSA-N |
| Molecular Formula | C7H3F3O2 |
N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide 98.0+%, TCI America™
CAS: 616880-14-9 Molecular Formula: C13H20BNO4S Molecular Weight (g/mol): 297.176 MDL Number: MFCD05663876 InChI Key: NPSPNWPZDXQYAC-UHFFFAOYSA-N Synonym: n-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanesulfonamide,4-methanesulfonylamino phenylboronic acid pinacol ester,4-methanesulfonylaminophenylboronic acid, pinacol ester,4-methanesulfonylaminophenylboronic acid pinacol ester,n-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanesulfonamide,amtb416,4-methanesulfonylamino phenyl boronic acid pinacol ester,4-methanesulfonamido phenylboronic acid pinacol ester PubChem CID: 16217653 IUPAC Name: N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NS(=O)(=O)C
| PubChem CID | 16217653 |
|---|---|
| CAS | 616880-14-9 |
| Molecular Weight (g/mol) | 297.176 |
| MDL Number | MFCD05663876 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NS(=O)(=O)C |
| Synonym | n-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanesulfonamide,4-methanesulfonylamino phenylboronic acid pinacol ester,4-methanesulfonylaminophenylboronic acid, pinacol ester,4-methanesulfonylaminophenylboronic acid pinacol ester,n-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanesulfonamide,amtb416,4-methanesulfonylamino phenyl boronic acid pinacol ester,4-methanesulfonamido phenylboronic acid pinacol ester |
| IUPAC Name | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide |
| InChI Key | NPSPNWPZDXQYAC-UHFFFAOYSA-N |
| Molecular Formula | C13H20BNO4S |
2,4,6-Tris(4-bromophenyl)-1,3,5-triazine 98.0+%, TCI America™
CAS: 30363-03-2 Molecular Formula: C21H12Br3N3 Molecular Weight (g/mol): 546.06 MDL Number: MFCD04116312 InChI Key: WZYVDGDZBNQVCF-UHFFFAOYSA-N PubChem CID: 35224 IUPAC Name: tris(4-bromophenyl)-1,3,5-triazine SMILES: BrC1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1
| PubChem CID | 35224 |
|---|---|
| CAS | 30363-03-2 |
| Molecular Weight (g/mol) | 546.06 |
| MDL Number | MFCD04116312 |
| SMILES | BrC1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=C(Br)C=C1)C1=CC=C(Br)C=C1 |
| IUPAC Name | tris(4-bromophenyl)-1,3,5-triazine |
| InChI Key | WZYVDGDZBNQVCF-UHFFFAOYSA-N |
| Molecular Formula | C21H12Br3N3 |
1,2,3-Tribromobenzene 98.0+%, TCI America™
CAS: 608-21-9 Molecular Formula: C6H3Br3 Molecular Weight (g/mol): 314.80 MDL Number: MFCD00192668 InChI Key: GMVJKSNPLYBFSO-UHFFFAOYSA-N PubChem CID: 11842 IUPAC Name: 1,2,3-tribromobenzene SMILES: BrC1=CC=CC(Br)=C1Br
| PubChem CID | 11842 |
|---|---|
| CAS | 608-21-9 |
| Molecular Weight (g/mol) | 314.80 |
| MDL Number | MFCD00192668 |
| SMILES | BrC1=CC=CC(Br)=C1Br |
| IUPAC Name | 1,2,3-tribromobenzene |
| InChI Key | GMVJKSNPLYBFSO-UHFFFAOYSA-N |
| Molecular Formula | C6H3Br3 |
Pentafluorophenyl 4-Nitrobenzenesulfonate 98.0+%, TCI America™
CAS: 244633-31-6 Molecular Formula: C12H4F5NO5S Molecular Weight (g/mol): 369.22 MDL Number: MFCD05975120 InChI Key: DQKVZFMQPLLPMR-UHFFFAOYSA-N Synonym: 4-Nitrobenzenesulfonic Acid Pentafluorophenyl Ester PubChem CID: 2783096 IUPAC Name: 2,3,4,5,6-pentafluorophenyl 4-nitrobenzene-1-sulfonate SMILES: [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)OC1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 2783096 |
|---|---|
| CAS | 244633-31-6 |
| Molecular Weight (g/mol) | 369.22 |
| MDL Number | MFCD05975120 |
| SMILES | [O-][N+](=O)C1=CC=C(C=C1)S(=O)(=O)OC1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | 4-Nitrobenzenesulfonic Acid Pentafluorophenyl Ester |
| IUPAC Name | 2,3,4,5,6-pentafluorophenyl 4-nitrobenzene-1-sulfonate |
| InChI Key | DQKVZFMQPLLPMR-UHFFFAOYSA-N |
| Molecular Formula | C12H4F5NO5S |
4-(trans-4-Propylcyclohexyl)benzoic Acid 98.0+%, TCI America™
CAS: 65355-29-5 Molecular Formula: C16H22O2 Molecular Weight (g/mol): 246.35 MDL Number: MFCD06658177 InChI Key: VACLULPMEXHBMD-UHFFFAOYSA-N Synonym: 4-trans-4-n-propylcyclohexyl benzoic acid,4-trans-4-propylcyclohexyl benzoic acid,4-4-propylcyclohexyl benzoic acid,trans-4-4-n-propylcyclohexyl benzoic acid,4-propyl cyclohexyl benzoic acid,benzoic acid, 4-4-propylcyclohexyl,4-trans-4-n-propylcyclohexyl benzoicacid,4-1s,4r-4-propylcyclohexyl benzoic acid,acmc-20lbd4 PubChem CID: 4552940 IUPAC Name: 4-(4-propylcyclohexyl)benzoic acid SMILES: CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O
| PubChem CID | 4552940 |
|---|---|
| CAS | 65355-29-5 |
| Molecular Weight (g/mol) | 246.35 |
| MDL Number | MFCD06658177 |
| SMILES | CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)O |
| Synonym | 4-trans-4-n-propylcyclohexyl benzoic acid,4-trans-4-propylcyclohexyl benzoic acid,4-4-propylcyclohexyl benzoic acid,trans-4-4-n-propylcyclohexyl benzoic acid,4-propyl cyclohexyl benzoic acid,benzoic acid, 4-4-propylcyclohexyl,4-trans-4-n-propylcyclohexyl benzoicacid,4-1s,4r-4-propylcyclohexyl benzoic acid,acmc-20lbd4 |
| IUPAC Name | 4-(4-propylcyclohexyl)benzoic acid |
| InChI Key | VACLULPMEXHBMD-UHFFFAOYSA-N |
| Molecular Formula | C16H22O2 |
1,3-Difluoro-5-iodobenzene 98.0+%, TCI America™
CAS: 2265-91-0 Molecular Formula: C6H3F2I Molecular Weight (g/mol): 239.99 MDL Number: MFCD03094155 InChI Key: QQCFOQNFPIAENW-UHFFFAOYSA-N Synonym: 3,5-difluoroiodobenzene,benzene, 1,3-difluoro-5-iodo,1,3-difluoro-5-iodo-benzene,3,5-difluoro iodobenzene,pubchem17134,3,5-difluoro-iodobenzene,3-difluoro-5-iodobenzene PubChem CID: 2778221 IUPAC Name: 1,3-difluoro-5-iodobenzene SMILES: FC1=CC(I)=CC(F)=C1
| PubChem CID | 2778221 |
|---|---|
| CAS | 2265-91-0 |
| Molecular Weight (g/mol) | 239.99 |
| MDL Number | MFCD03094155 |
| SMILES | FC1=CC(I)=CC(F)=C1 |
| Synonym | 3,5-difluoroiodobenzene,benzene, 1,3-difluoro-5-iodo,1,3-difluoro-5-iodo-benzene,3,5-difluoro iodobenzene,pubchem17134,3,5-difluoro-iodobenzene,3-difluoro-5-iodobenzene |
| IUPAC Name | 1,3-difluoro-5-iodobenzene |
| InChI Key | QQCFOQNFPIAENW-UHFFFAOYSA-N |
| Molecular Formula | C6H3F2I |
4,4'-Diiodo-2,2'-dimethylbiphenyl 98.0+%, TCI America™
CAS: 69571-02-4 Molecular Formula: C14H12I2 Molecular Weight (g/mol): 434.06 MDL Number: MFCD13185944 InChI Key: WHFMNDMHTIOIMS-UHFFFAOYSA-N PubChem CID: 13797298 IUPAC Name: 4,4'-diiodo-2,2'-dimethyl-1,1'-biphenyl SMILES: CC1=C(C=CC(I)=C1)C1=C(C)C=C(I)C=C1
| PubChem CID | 13797298 |
|---|---|
| CAS | 69571-02-4 |
| Molecular Weight (g/mol) | 434.06 |
| MDL Number | MFCD13185944 |
| SMILES | CC1=C(C=CC(I)=C1)C1=C(C)C=C(I)C=C1 |
| IUPAC Name | 4,4'-diiodo-2,2'-dimethyl-1,1'-biphenyl |
| InChI Key | WHFMNDMHTIOIMS-UHFFFAOYSA-N |
| Molecular Formula | C14H12I2 |
4-(Difluoromethoxy)toluene 96.0+%, TCI America™
CAS: 1583-83-1 Molecular Formula: C8H8F2O Molecular Weight (g/mol): 158.148 MDL Number: MFCD00042253 InChI Key: DJDQNISEJVPQCS-UHFFFAOYSA-N Synonym: alpha,alpha-Difluoro-4-methylanisole PubChem CID: 74104 IUPAC Name: 1-(difluoromethoxy)-4-methylbenzene SMILES: CC1=CC=C(C=C1)OC(F)F
| PubChem CID | 74104 |
|---|---|
| CAS | 1583-83-1 |
| Molecular Weight (g/mol) | 158.148 |
| MDL Number | MFCD00042253 |
| SMILES | CC1=CC=C(C=C1)OC(F)F |
| Synonym | alpha,alpha-Difluoro-4-methylanisole |
| IUPAC Name | 1-(difluoromethoxy)-4-methylbenzene |
| InChI Key | DJDQNISEJVPQCS-UHFFFAOYSA-N |
| Molecular Formula | C8H8F2O |
(Difluoromethoxy)benzene 98.0+%, TCI America™
CAS: 458-92-4 Molecular Formula: C7H6F2O Molecular Weight (g/mol): 144.12 MDL Number: MFCD00068184 InChI Key: LMVBQQAXGZVBFH-UHFFFAOYSA-N Synonym: alpha,alpha-Difluoroanisole PubChem CID: 68015 IUPAC Name: (difluoromethoxy)benzene SMILES: FC(F)OC1=CC=CC=C1
| PubChem CID | 68015 |
|---|---|
| CAS | 458-92-4 |
| Molecular Weight (g/mol) | 144.12 |
| MDL Number | MFCD00068184 |
| SMILES | FC(F)OC1=CC=CC=C1 |
| Synonym | alpha,alpha-Difluoroanisole |
| IUPAC Name | (difluoromethoxy)benzene |
| InChI Key | LMVBQQAXGZVBFH-UHFFFAOYSA-N |
| Molecular Formula | C7H6F2O |
2,2'-Biphenyldicarboxylic Acid 98.0+%, TCI America™
CAS: 482-05-3 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00002464 InChI Key: GWZCCUDJHOGOSO-UHFFFAOYSA-N Synonym: diphenic acid,1,1'-biphenyl-2,2'-dicarboxylic acid,2,2'-biphenyldicarboxylic acid,2,2'-bibenzoic acid,biphenyl-2,2'-dicarboxylic acid,2,2'-dicarboxybiphenyl,2,2'-diphenic acid,2-2-carboxyphenyl benzoic acid,o,o'-diphenic acid,o,o'-bibenzoic acid PubChem CID: 10210 ChEBI: CHEBI:23837 IUPAC Name: 2-(2-carboxyphenyl)benzoic acid SMILES: C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)O
| PubChem CID | 10210 |
|---|---|
| CAS | 482-05-3 |
| Molecular Weight (g/mol) | 242.23 |
| ChEBI | CHEBI:23837 |
| MDL Number | MFCD00002464 |
| SMILES | C1=CC=C(C(=C1)C2=CC=CC=C2C(=O)O)C(=O)O |
| Synonym | diphenic acid,1,1'-biphenyl-2,2'-dicarboxylic acid,2,2'-biphenyldicarboxylic acid,2,2'-bibenzoic acid,biphenyl-2,2'-dicarboxylic acid,2,2'-dicarboxybiphenyl,2,2'-diphenic acid,2-2-carboxyphenyl benzoic acid,o,o'-diphenic acid,o,o'-bibenzoic acid |
| IUPAC Name | 2-(2-carboxyphenyl)benzoic acid |
| InChI Key | GWZCCUDJHOGOSO-UHFFFAOYSA-N |
| Molecular Formula | C14H10O4 |