Benzenoids
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2-(3-Methoxyphenethyl)phenol 98.0+%, TCI America™
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CAS: 167145-13-3 Molecular Formula: C15H16O2 Molecular Weight (g/mol): 228.291 MDL Number: MFCD09800498 InChI Key: HGQQRAXOBYWKDV-UHFFFAOYSA-N Synonym: 2-[2-(3-Methoxyphenyl)ethyl]phenol PubChem CID: 10585448 IUPAC Name: 2-[2-(3-methoxyphenyl)ethyl]phenol SMILES: COC1=CC=CC(=C1)CCC2=CC=CC=C2O
| PubChem CID | 10585448 |
|---|---|
| CAS | 167145-13-3 |
| Molecular Weight (g/mol) | 228.291 |
| MDL Number | MFCD09800498 |
| SMILES | COC1=CC=CC(=C1)CCC2=CC=CC=C2O |
| Synonym | 2-[2-(3-Methoxyphenyl)ethyl]phenol |
| IUPAC Name | 2-[2-(3-methoxyphenyl)ethyl]phenol |
| InChI Key | HGQQRAXOBYWKDV-UHFFFAOYSA-N |
| Molecular Formula | C15H16O2 |
3,5-Difluoroaniline 98.0+%, TCI America™
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CAS: 372-39-4 Molecular Formula: C6H5F2N Molecular Weight (g/mol): 129.11 MDL Number: MFCD00007763 InChI Key: KQOIBXZRCYFZSO-UHFFFAOYSA-N Synonym: benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline PubChem CID: 96595 IUPAC Name: 3,5-difluoroaniline SMILES: C1=C(C=C(C=C1F)F)N
| PubChem CID | 96595 |
|---|---|
| CAS | 372-39-4 |
| Molecular Weight (g/mol) | 129.11 |
| MDL Number | MFCD00007763 |
| SMILES | C1=C(C=C(C=C1F)F)N |
| Synonym | benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline |
| IUPAC Name | 3,5-difluoroaniline |
| InChI Key | KQOIBXZRCYFZSO-UHFFFAOYSA-N |
| Molecular Formula | C6H5F2N |
4-(4-Propylphenyl)benzoic Acid 98.0+%, TCI America™
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CAS: 88038-94-2 Molecular Formula: C16H16O2 Molecular Weight (g/mol): 240.302 MDL Number: MFCD00017335 InChI Key: HCPBURTZSXRGBN-UHFFFAOYSA-N Synonym: 4-4-propylphenyl benzoic acid,4-4-n-propylphenyl benzoic acid,4'-propyl-1,1'-biphenyl-4-carboxylic acid,4-propylbiphenyl-4'-carboxylic acid,4-propyl-4'-biphenylcarboxylic acid,4'-propylbiphenyl-4-carboxylic acid,4-n-propylbiphenyl-4'-carboxylic acid,4-p-n-propylphenyl benzoic acid,1,1'-biphenyl-4-carboxylic acid, 4'-propyl,4'-n-propylbiphenyl-4-carboxylic acid PubChem CID: 522891 IUPAC Name: 4-(4-propylphenyl)benzoic acid SMILES: CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O
| PubChem CID | 522891 |
|---|---|
| CAS | 88038-94-2 |
| Molecular Weight (g/mol) | 240.302 |
| MDL Number | MFCD00017335 |
| SMILES | CCCC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O |
| Synonym | 4-4-propylphenyl benzoic acid,4-4-n-propylphenyl benzoic acid,4'-propyl-1,1'-biphenyl-4-carboxylic acid,4-propylbiphenyl-4'-carboxylic acid,4-propyl-4'-biphenylcarboxylic acid,4'-propylbiphenyl-4-carboxylic acid,4-n-propylbiphenyl-4'-carboxylic acid,4-p-n-propylphenyl benzoic acid,1,1'-biphenyl-4-carboxylic acid, 4'-propyl,4'-n-propylbiphenyl-4-carboxylic acid |
| IUPAC Name | 4-(4-propylphenyl)benzoic acid |
| InChI Key | HCPBURTZSXRGBN-UHFFFAOYSA-N |
| Molecular Formula | C16H16O2 |
2-Bromo-5-chloroanisole 98.0+%, TCI America™
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CAS: 174913-09-8 Molecular Formula: C7H6BrClO Molecular Weight (g/mol): 221.478 MDL Number: MFCD03790889 InChI Key: CQGYLDZGJLVLMK-UHFFFAOYSA-N Synonym: 2-bromo-5-chloroanisole,benzene, 1-bromo-4-chloro-2-methoxy,pubchem5265,acmc-1c20c,ksc497i0p,2-bromo-5-chloroanisole, 98+%,2-methoxy-4-chloro-1-bromobenzene,1-bromo-4-chloro-2-methoxy-benzene PubChem CID: 17984845 IUPAC Name: 1-bromo-4-chloro-2-methoxybenzene SMILES: COC1=C(C=CC(=C1)Cl)Br
| PubChem CID | 17984845 |
|---|---|
| CAS | 174913-09-8 |
| Molecular Weight (g/mol) | 221.478 |
| MDL Number | MFCD03790889 |
| SMILES | COC1=C(C=CC(=C1)Cl)Br |
| Synonym | 2-bromo-5-chloroanisole,benzene, 1-bromo-4-chloro-2-methoxy,pubchem5265,acmc-1c20c,ksc497i0p,2-bromo-5-chloroanisole, 98+%,2-methoxy-4-chloro-1-bromobenzene,1-bromo-4-chloro-2-methoxy-benzene |
| IUPAC Name | 1-bromo-4-chloro-2-methoxybenzene |
| InChI Key | CQGYLDZGJLVLMK-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrClO |
4-Nitrobenzoic Acid Potassium Salt 99.0+%, TCI America™
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CAS: 15922-01-7 Molecular Formula: C7H4KNO4 Molecular Weight (g/mol): 205.21 MDL Number: MFCD00070536 InChI Key: MKBKSBKMELRIKB-UHFFFAOYSA-M Synonym: Potassium 4-Nitrobenzoate PubChem CID: 10125148 IUPAC Name: potassium;4-nitrobenzoate SMILES: C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].[K+]
| PubChem CID | 10125148 |
|---|---|
| CAS | 15922-01-7 |
| Molecular Weight (g/mol) | 205.21 |
| MDL Number | MFCD00070536 |
| SMILES | C1=CC(=CC=C1C(=O)[O-])[N+](=O)[O-].[K+] |
| Synonym | Potassium 4-Nitrobenzoate |
| IUPAC Name | potassium;4-nitrobenzoate |
| InChI Key | MKBKSBKMELRIKB-UHFFFAOYSA-M |
| Molecular Formula | C7H4KNO4 |
2,3-Difluorophenylacetonitrile 98.0+%, TCI America™
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CAS: 145689-34-5 Molecular Formula: C8H5F2N Molecular Weight (g/mol): 153.13 MDL Number: MFCD00061277 InChI Key: IYRCHGRRMKOSHW-UHFFFAOYSA-N Synonym: 2,3-difluorophenylacetonitrile,2-2,3-difluorophenyl acetonitrile,2,3-difluorobenzyl cyanide,2,3-difluorophenylacetanitrile,benzeneacetonitrile, 2,3-difluoro,2-2,3-difluorophenyl ethanenitrile,2,3-difluorobenzeneacetonitrile,pubchem1587,acmc-209x0i,ksc183q4t PubChem CID: 518968 IUPAC Name: 2-(2,3-difluorophenyl)acetonitrile SMILES: FC1=CC=CC(CC#N)=C1F
| PubChem CID | 518968 |
|---|---|
| CAS | 145689-34-5 |
| Molecular Weight (g/mol) | 153.13 |
| MDL Number | MFCD00061277 |
| SMILES | FC1=CC=CC(CC#N)=C1F |
| Synonym | 2,3-difluorophenylacetonitrile,2-2,3-difluorophenyl acetonitrile,2,3-difluorobenzyl cyanide,2,3-difluorophenylacetanitrile,benzeneacetonitrile, 2,3-difluoro,2-2,3-difluorophenyl ethanenitrile,2,3-difluorobenzeneacetonitrile,pubchem1587,acmc-209x0i,ksc183q4t |
| IUPAC Name | 2-(2,3-difluorophenyl)acetonitrile |
| InChI Key | IYRCHGRRMKOSHW-UHFFFAOYSA-N |
| Molecular Formula | C8H5F2N |
4-Diethylaminobenzoic Acid 98.0+%, TCI America™
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CAS: 5429-28-7 Molecular Formula: C11H15NO2 Molecular Weight (g/mol): 193.246 MDL Number: MFCD00002538 InChI Key: LNYTUARMNSFFBE-UHFFFAOYSA-N Synonym: 4-diethylamino benzoic acid,benzoic acid, 4-diethylamino,4-n,n-diethylaminobenzoic acid,p-diethylamino benzoic acid,4-diethylaminobenzoicacid,acmc-209lfa,4-diethylamino benzoic,p-diethylaminobenzoic acid,4-diethylamino benzoicacid PubChem CID: 79480 IUPAC Name: 4-(diethylamino)benzoic acid SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)O
| PubChem CID | 79480 |
|---|---|
| CAS | 5429-28-7 |
| Molecular Weight (g/mol) | 193.246 |
| MDL Number | MFCD00002538 |
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=O)O |
| Synonym | 4-diethylamino benzoic acid,benzoic acid, 4-diethylamino,4-n,n-diethylaminobenzoic acid,p-diethylamino benzoic acid,4-diethylaminobenzoicacid,acmc-209lfa,4-diethylamino benzoic,p-diethylaminobenzoic acid,4-diethylamino benzoicacid |
| IUPAC Name | 4-(diethylamino)benzoic acid |
| InChI Key | LNYTUARMNSFFBE-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO2 |
Benzyltributylammonium Bromide 98.0+%, TCI America™
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CAS: 25316-59-0 Molecular Formula: C19H34BrN Molecular Weight (g/mol): 356.392 MDL Number: MFCD00011848 InChI Key: UDYGXWPMSJPFDG-UHFFFAOYSA-M Synonym: benzyltributylammonium bromide,tributylbenzylammonium bromide,n-benzyl-n,n-dibutylbutan-1-aminium bromide,benzyl tributyl ammonium bromide,benzenemethanaminium, n,n,n-tributyl-, bromide,benzyltri-n-butylammonium bromide,benzyltributylazanium bromide,benzyl-tributyl-azanium,benzyltributylammoniumbromide,pubchem7801 PubChem CID: 2724282 IUPAC Name: benzyl(tributyl)azanium;bromide SMILES: CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.[Br-]
| PubChem CID | 2724282 |
|---|---|
| CAS | 25316-59-0 |
| Molecular Weight (g/mol) | 356.392 |
| MDL Number | MFCD00011848 |
| SMILES | CCCC[N+](CCCC)(CCCC)CC1=CC=CC=C1.[Br-] |
| Synonym | benzyltributylammonium bromide,tributylbenzylammonium bromide,n-benzyl-n,n-dibutylbutan-1-aminium bromide,benzyl tributyl ammonium bromide,benzenemethanaminium, n,n,n-tributyl-, bromide,benzyltri-n-butylammonium bromide,benzyltributylazanium bromide,benzyl-tributyl-azanium,benzyltributylammoniumbromide,pubchem7801 |
| IUPAC Name | benzyl(tributyl)azanium;bromide |
| InChI Key | UDYGXWPMSJPFDG-UHFFFAOYSA-M |
| Molecular Formula | C19H34BrN |
4-(1-Propenyl)-1,2-dimethoxybenzene 98.0+%, TCI America™
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CAS: 93-16-3 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00009282 InChI Key: NNWHUJCUHAELCL-PLNGDYQASA-N Synonym: 1,2-Dimethoxy-4-(1-propenyl)benzene, O-Methyl Isoeugenol, 4-(1-Propenyl)pyrocatechol Dimethyl Ether PubChem CID: 1549045 ChEBI: CHEBI:50550 IUPAC Name: 1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene SMILES: CC=CC1=CC(=C(C=C1)OC)OC
| PubChem CID | 1549045 |
|---|---|
| CAS | 93-16-3 |
| Molecular Weight (g/mol) | 178.231 |
| ChEBI | CHEBI:50550 |
| MDL Number | MFCD00009282 |
| SMILES | CC=CC1=CC(=C(C=C1)OC)OC |
| Synonym | 1,2-Dimethoxy-4-(1-propenyl)benzene, O-Methyl Isoeugenol, 4-(1-Propenyl)pyrocatechol Dimethyl Ether |
| IUPAC Name | 1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene |
| InChI Key | NNWHUJCUHAELCL-PLNGDYQASA-N |
| Molecular Formula | C11H14O2 |
4-Dodecyloxyphthalonitrile 99.0+%, TCI America™
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CAS: 161082-75-3 Molecular Formula: C20H28N2O Molecular Weight (g/mol): 312.457 MDL Number: MFCD00191413 InChI Key: SWVGQFFVXRAJRQ-UHFFFAOYSA-N Synonym: 1,2-Dicyano-4-dodecyloxybenzene PubChem CID: 44630254 IUPAC Name: 4-dodecoxybenzene-1,2-dicarbonitrile SMILES: CCCCCCCCCCCCOC1=CC(=C(C=C1)C#N)C#N
| PubChem CID | 44630254 |
|---|---|
| CAS | 161082-75-3 |
| Molecular Weight (g/mol) | 312.457 |
| MDL Number | MFCD00191413 |
| SMILES | CCCCCCCCCCCCOC1=CC(=C(C=C1)C#N)C#N |
| Synonym | 1,2-Dicyano-4-dodecyloxybenzene |
| IUPAC Name | 4-dodecoxybenzene-1,2-dicarbonitrile |
| InChI Key | SWVGQFFVXRAJRQ-UHFFFAOYSA-N |
| Molecular Formula | C20H28N2O |
Methyl 2-(tert-Butoxycarbonylamino)-3-nitrobenzoate 98.0+%, TCI America™
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CAS: 57113-90-3 Molecular Formula: C13H16N2O6 Molecular Weight (g/mol): 296.279 MDL Number: MFCD06797690 InChI Key: VEDIIGMQOAWKGH-UHFFFAOYSA-N Synonym: 2-(tert-Butoxycarbonylamino)-3-nitrobenzoic Acid Methyl Ester, Methyl 2-(Boc-amino)-3-nitrobenzoate, 2-(Boc-amino)-3-nitrobenzoic Acid Methyl Ester PubChem CID: 9965968 IUPAC Name: methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate SMILES: CC(C)(C)OC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC
| PubChem CID | 9965968 |
|---|---|
| CAS | 57113-90-3 |
| Molecular Weight (g/mol) | 296.279 |
| MDL Number | MFCD06797690 |
| SMILES | CC(C)(C)OC(=O)NC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC |
| Synonym | 2-(tert-Butoxycarbonylamino)-3-nitrobenzoic Acid Methyl Ester, Methyl 2-(Boc-amino)-3-nitrobenzoate, 2-(Boc-amino)-3-nitrobenzoic Acid Methyl Ester |
| IUPAC Name | methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrobenzoate |
| InChI Key | VEDIIGMQOAWKGH-UHFFFAOYSA-N |
| Molecular Formula | C13H16N2O6 |
2-Methyl-5-nitrobenzotrifluoride 98.0+%, TCI America™
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CAS: 89976-12-5 Molecular Formula: C8H6F3NO2 Molecular Weight (g/mol): 205.136 MDL Number: MFCD01631684 InChI Key: SVQCVQCIZWSPPX-UHFFFAOYSA-N Synonym: 2-methyl-5-nitrobenzotrifluoride,1-methyl-4-nitro-2-trifluoromethyl benzene,2-trifluoromethyl-4-nitrotoluene,4-nitro-2-trifluoromethyl toluene,1-methyl-4-nitro-2-trifluoromethyl-benzene,benzene, 1-methyl-4-nitro-2-trifluoromethyl,3-trifluoromethyl-4-methylnitrobenzene,2-trifluoromethyl-1-methyl-4-nitrobenzene,pubchem4444 PubChem CID: 2775447 IUPAC Name: 1-methyl-4-nitro-2-(trifluoromethyl)benzene SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F
| PubChem CID | 2775447 |
|---|---|
| CAS | 89976-12-5 |
| Molecular Weight (g/mol) | 205.136 |
| MDL Number | MFCD01631684 |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F |
| Synonym | 2-methyl-5-nitrobenzotrifluoride,1-methyl-4-nitro-2-trifluoromethyl benzene,2-trifluoromethyl-4-nitrotoluene,4-nitro-2-trifluoromethyl toluene,1-methyl-4-nitro-2-trifluoromethyl-benzene,benzene, 1-methyl-4-nitro-2-trifluoromethyl,3-trifluoromethyl-4-methylnitrobenzene,2-trifluoromethyl-1-methyl-4-nitrobenzene,pubchem4444 |
| IUPAC Name | 1-methyl-4-nitro-2-(trifluoromethyl)benzene |
| InChI Key | SVQCVQCIZWSPPX-UHFFFAOYSA-N |
| Molecular Formula | C8H6F3NO2 |
2,4-Difluorophenylacetic Acid 98.0+%, TCI America™
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CAS: 81228-09-3 Molecular Formula: C8H5F2O2 Molecular Weight (g/mol): 171.12 MDL Number: MFCD00009999 InChI Key: QPKZIGHNRLZBCL-UHFFFAOYSA-M Synonym: 2,4-difluorophenylacetic acid,2-2,4-difluorophenyl acetic acid,benzeneacetic acid, 2,4-difluoro,2,4-difluorophenyl acetic acid,2,4-ddifluorophenylacetic acid,rarechem al bo 0247,2,4-difluoro-phenyl-acetic acid,2,4-difluorobenzeneacetic acid,2,4-difluorophenylaceticacid PubChem CID: 123581 IUPAC Name: 2-(2,4-difluorophenyl)acetate SMILES: [O-]C(=O)CC1=CC=C(F)C=C1F
| PubChem CID | 123581 |
|---|---|
| CAS | 81228-09-3 |
| Molecular Weight (g/mol) | 171.12 |
| MDL Number | MFCD00009999 |
| SMILES | [O-]C(=O)CC1=CC=C(F)C=C1F |
| Synonym | 2,4-difluorophenylacetic acid,2-2,4-difluorophenyl acetic acid,benzeneacetic acid, 2,4-difluoro,2,4-difluorophenyl acetic acid,2,4-ddifluorophenylacetic acid,rarechem al bo 0247,2,4-difluoro-phenyl-acetic acid,2,4-difluorobenzeneacetic acid,2,4-difluorophenylaceticacid |
| IUPAC Name | 2-(2,4-difluorophenyl)acetate |
| InChI Key | QPKZIGHNRLZBCL-UHFFFAOYSA-M |
| Molecular Formula | C8H5F2O2 |
1,3-Dichloro-5-iodobenzene 98.0+%, TCI America™
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CAS: 3032-81-3 Molecular Formula: C6H3Cl2I Molecular Weight (g/mol): 272.89 MDL Number: MFCD00001047 InChI Key: AATPRMRVLQZEHB-UHFFFAOYSA-N Synonym: 3,5-dichloroiodobenzene,3,5-dichlorophenyl iodide,benzene, 1,3-dichloro-5-iodo,1,3-dichloro-5-iodo-benzene,3,5-dichloro-1-iodobenzene,pubchem3693,acmc-209hev,3,5-dichloro iodobenzene,3,5-dichloro-iodobenzene,3,5-dichloro-iodo-benzene PubChem CID: 76424 IUPAC Name: 1,3-dichloro-5-iodobenzene SMILES: ClC1=CC(I)=CC(Cl)=C1
| PubChem CID | 76424 |
|---|---|
| CAS | 3032-81-3 |
| Molecular Weight (g/mol) | 272.89 |
| MDL Number | MFCD00001047 |
| SMILES | ClC1=CC(I)=CC(Cl)=C1 |
| Synonym | 3,5-dichloroiodobenzene,3,5-dichlorophenyl iodide,benzene, 1,3-dichloro-5-iodo,1,3-dichloro-5-iodo-benzene,3,5-dichloro-1-iodobenzene,pubchem3693,acmc-209hev,3,5-dichloro iodobenzene,3,5-dichloro-iodobenzene,3,5-dichloro-iodo-benzene |
| IUPAC Name | 1,3-dichloro-5-iodobenzene |
| InChI Key | AATPRMRVLQZEHB-UHFFFAOYSA-N |
| Molecular Formula | C6H3Cl2I |
4-(3,4-Dichlorophenyl)-1-tetralone 98.0+%, TCI America™
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CAS: 79560-19-3 Molecular Formula: C16H12Cl2O Molecular Weight (g/mol): 291.171 MDL Number: MFCD02093088 InChI Key: JGMBHJNMQVKDMW-UHFFFAOYSA-N Synonym: 4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone PubChem CID: 3746251 IUPAC Name: 4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one SMILES: C1CC(=O)C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl
| PubChem CID | 3746251 |
|---|---|
| CAS | 79560-19-3 |
| Molecular Weight (g/mol) | 291.171 |
| MDL Number | MFCD02093088 |
| SMILES | C1CC(=O)C2=CC=CC=C2C1C3=CC(=C(C=C3)Cl)Cl |
| Synonym | 4-(3,4-Dichlorophenyl)-3,4-dihydro-1(2H)-naphthalenone |
| IUPAC Name | 4-(3,4-dichlorophenyl)-3,4-dihydro-2H-naphthalen-1-one |
| InChI Key | JGMBHJNMQVKDMW-UHFFFAOYSA-N |
| Molecular Formula | C16H12Cl2O |