Benzene and substituted derivatives
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2,5-Difluoroaniline 98.0+%, TCI America™
CAS: 367-30-6 Molecular Formula: C6H5F2N Molecular Weight (g/mol): 129.11 MDL Number: MFCD00007651 InChI Key: YNOOQIUSYGWMSS-UHFFFAOYSA-N Synonym: benzenamine, 2,5-difluoro,2,5-difluorobenzenamine,2,5-difluoro-phenylamine,aniline, 2,5-difluoro,2.5-difluoroaniline,aniline,5-difluoro,pubchem1531,2,5-difluoro-aniline,2,5-difluorophenylamine,benzenamine,5-difluoro PubChem CID: 67775 IUPAC Name: 2,5-difluoroaniline SMILES: C1=CC(=C(C=C1F)N)F
| PubChem CID | 67775 |
|---|---|
| CAS | 367-30-6 |
| Molecular Weight (g/mol) | 129.11 |
| MDL Number | MFCD00007651 |
| SMILES | C1=CC(=C(C=C1F)N)F |
| Synonym | benzenamine, 2,5-difluoro,2,5-difluorobenzenamine,2,5-difluoro-phenylamine,aniline, 2,5-difluoro,2.5-difluoroaniline,aniline,5-difluoro,pubchem1531,2,5-difluoro-aniline,2,5-difluorophenylamine,benzenamine,5-difluoro |
| IUPAC Name | 2,5-difluoroaniline |
| InChI Key | YNOOQIUSYGWMSS-UHFFFAOYSA-N |
| Molecular Formula | C6H5F2N |
5-Bromo-2-nitrobenzaldehyde 98.0+%, TCI America™
CAS: 20357-20-4 Molecular Formula: C7H4BrNO3 Molecular Weight (g/mol): 230.017 MDL Number: MFCD00456508 InChI Key: UFRVBZVJVRHSNR-UHFFFAOYSA-N PubChem CID: 97233 IUPAC Name: 5-bromo-2-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1Br)C=O)[N+](=O)[O-]
| PubChem CID | 97233 |
|---|---|
| CAS | 20357-20-4 |
| Molecular Weight (g/mol) | 230.017 |
| MDL Number | MFCD00456508 |
| SMILES | C1=CC(=C(C=C1Br)C=O)[N+](=O)[O-] |
| IUPAC Name | 5-bromo-2-nitrobenzaldehyde |
| InChI Key | UFRVBZVJVRHSNR-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO3 |
2,4,6-Trimethylbenzyl Cyanide 98.0+%, TCI America™
CAS: 34688-71-6 Molecular Formula: C11H13N Molecular Weight (g/mol): 159.232 MDL Number: MFCD00013815 InChI Key: SDKQOGSGNPGPRN-UHFFFAOYSA-N Synonym: mesitylacetonitrile,2,4,6-trimethylphenylacetonitrile,2-mesitylacetonitrile,2-2,4,6-trimethylphenyl acetonitrile,2,4,6-trimethylbenzyl cyanide,benzeneacetonitrile, 2,4,6-trimethyl,2,4,6-trimethylphenyl acetonitrile,2-2,4,6-trimethylphenyl ethanenitrile,mesitylacetonitrile # PubChem CID: 520698 IUPAC Name: 2-(2,4,6-trimethylphenyl)acetonitrile SMILES: CC1=CC(=C(C(=C1)C)CC#N)C
| PubChem CID | 520698 |
|---|---|
| CAS | 34688-71-6 |
| Molecular Weight (g/mol) | 159.232 |
| MDL Number | MFCD00013815 |
| SMILES | CC1=CC(=C(C(=C1)C)CC#N)C |
| Synonym | mesitylacetonitrile,2,4,6-trimethylphenylacetonitrile,2-mesitylacetonitrile,2-2,4,6-trimethylphenyl acetonitrile,2,4,6-trimethylbenzyl cyanide,benzeneacetonitrile, 2,4,6-trimethyl,2,4,6-trimethylphenyl acetonitrile,2-2,4,6-trimethylphenyl ethanenitrile,mesitylacetonitrile # |
| IUPAC Name | 2-(2,4,6-trimethylphenyl)acetonitrile |
| InChI Key | SDKQOGSGNPGPRN-UHFFFAOYSA-N |
| Molecular Formula | C11H13N |
2-Bromo-5-chlorobenzaldehyde 97.0+%, TCI America™
CAS: 174265-12-4 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.462 InChI Key: IIISHLMCTDMUHH-UHFFFAOYSA-N Synonym: 5-chloro-2-bromobenzaldehyde,benzaldehyde, 2-bromo-5-chloro,pubchem19849,acmc-1bwmm,ksc174i5n,2-bromo-5-chlorobenzaldehycle,iiishlmctdmuhh-uhfffaoysa PubChem CID: 15391279 IUPAC Name: 2-bromo-5-chlorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)C=O)Br
| PubChem CID | 15391279 |
|---|---|
| CAS | 174265-12-4 |
| Molecular Weight (g/mol) | 219.462 |
| SMILES | C1=CC(=C(C=C1Cl)C=O)Br |
| Synonym | 5-chloro-2-bromobenzaldehyde,benzaldehyde, 2-bromo-5-chloro,pubchem19849,acmc-1bwmm,ksc174i5n,2-bromo-5-chlorobenzaldehycle,iiishlmctdmuhh-uhfffaoysa |
| IUPAC Name | 2-bromo-5-chlorobenzaldehyde |
| InChI Key | IIISHLMCTDMUHH-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO |
4-Chlorobutyl Benzoate 98.0+%, TCI America™
CAS: 946-02-1 Molecular Formula: C11H13ClO2 Molecular Weight (g/mol): 212.673 MDL Number: MFCD00019005 InChI Key: XFFQVVCNZAYQSJ-UHFFFAOYSA-N Synonym: Benzoic Acid 4-Chlorobutyl Ester PubChem CID: 136761 IUPAC Name: 4-chlorobutyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OCCCCCl
| PubChem CID | 136761 |
|---|---|
| CAS | 946-02-1 |
| Molecular Weight (g/mol) | 212.673 |
| MDL Number | MFCD00019005 |
| SMILES | C1=CC=C(C=C1)C(=O)OCCCCCl |
| Synonym | Benzoic Acid 4-Chlorobutyl Ester |
| IUPAC Name | 4-chlorobutyl benzoate |
| InChI Key | XFFQVVCNZAYQSJ-UHFFFAOYSA-N |
| Molecular Formula | C11H13ClO2 |
Methyl 2-(Cyanomethyl)benzoate 98.0+%, TCI America™
CAS: 4-6-5597 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD01631304 InChI Key: CMADSXVGXNLKHA-UHFFFAOYSA-N Synonym: 2-(Cyanomethyl)benzoic Acid Methyl Ester PubChem CID: 588805 IUPAC Name: methyl 2-(cyanomethyl)benzoate SMILES: COC(=O)C1=CC=CC=C1CC#N
| PubChem CID | 588805 |
|---|---|
| CAS | 4-6-5597 |
| Molecular Weight (g/mol) | 175.19 |
| MDL Number | MFCD01631304 |
| SMILES | COC(=O)C1=CC=CC=C1CC#N |
| Synonym | 2-(Cyanomethyl)benzoic Acid Methyl Ester |
| IUPAC Name | methyl 2-(cyanomethyl)benzoate |
| InChI Key | CMADSXVGXNLKHA-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2 |
Hexabromobenzene 99.0+%, TCI America™
CAS: 87-82-1 Molecular Formula: C6Br6 Molecular Weight (g/mol): 551.49 MDL Number: MFCD00000058 InChI Key: CAYGQBVSOZLICD-UHFFFAOYSA-N Synonym: hexabromobenzene,benzene, hexabromo,perbromobenzene,unii-t01859xwir,ccris 5917,benzene, 1,2,3,4,5,6-hexabromo,hxbbz,hexabioomobenzene,acmc-20aj0o PubChem CID: 6905 IUPAC Name: 1,2,3,4,5,6-hexabromobenzene SMILES: C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br
| PubChem CID | 6905 |
|---|---|
| CAS | 87-82-1 |
| Molecular Weight (g/mol) | 551.49 |
| MDL Number | MFCD00000058 |
| SMILES | C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)Br |
| Synonym | hexabromobenzene,benzene, hexabromo,perbromobenzene,unii-t01859xwir,ccris 5917,benzene, 1,2,3,4,5,6-hexabromo,hxbbz,hexabioomobenzene,acmc-20aj0o |
| IUPAC Name | 1,2,3,4,5,6-hexabromobenzene |
| InChI Key | CAYGQBVSOZLICD-UHFFFAOYSA-N |
| Molecular Formula | C6Br6 |
Itopride Hydrochloride 98.0+%, TCI America™
CAS: 122892-31-3 Molecular Formula: C20H27ClN2O4 Molecular Weight (g/mol): 394.896 MDL Number: MFCD00881710 InChI Key: ZTOUXLLIPWWHSR-UHFFFAOYSA-N Synonym: N-[4-[2-(Dimethylamino)ethoxy]benzyl]-3,4-dimethoxybenzamide Hydrochloride PubChem CID: 129791 IUPAC Name: N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide;hydrochloride SMILES: CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC.Cl
| PubChem CID | 129791 |
|---|---|
| CAS | 122892-31-3 |
| Molecular Weight (g/mol) | 394.896 |
| MDL Number | MFCD00881710 |
| SMILES | CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C=C2)OC)OC.Cl |
| Synonym | N-[4-[2-(Dimethylamino)ethoxy]benzyl]-3,4-dimethoxybenzamide Hydrochloride |
| IUPAC Name | N-[[4-[2-(dimethylamino)ethoxy]phenyl]methyl]-3,4-dimethoxybenzamide;hydrochloride |
| InChI Key | ZTOUXLLIPWWHSR-UHFFFAOYSA-N |
| Molecular Formula | C20H27ClN2O4 |
4-Bromophenyl Isocyanate 98.0+%, TCI America™
CAS: 2493-02-9 Molecular Formula: C7H4BrNO Molecular Weight (g/mol): 198.02 MDL Number: MFCD00002022 InChI Key: CZQIJQFTRGDODI-UHFFFAOYSA-N Synonym: 4-bromophenyl isocyanate,4-bromophenylisocyanate,p-bromophenyl isocyanate,benzene, 1-bromo-4-isocyanato,p-bromophenylisocyanate,p-bromocarbanil,p-bromophenyl carbonimide,isocyanic acid 4-bromophenyl ester,unii-mgr77m31zw,mgr77m31zw PubChem CID: 75609 IUPAC Name: 1-bromo-4-isocyanatobenzene SMILES: C1=CC(=CC=C1N=C=O)Br
| PubChem CID | 75609 |
|---|---|
| CAS | 2493-02-9 |
| Molecular Weight (g/mol) | 198.02 |
| MDL Number | MFCD00002022 |
| SMILES | C1=CC(=CC=C1N=C=O)Br |
| Synonym | 4-bromophenyl isocyanate,4-bromophenylisocyanate,p-bromophenyl isocyanate,benzene, 1-bromo-4-isocyanato,p-bromophenylisocyanate,p-bromocarbanil,p-bromophenyl carbonimide,isocyanic acid 4-bromophenyl ester,unii-mgr77m31zw,mgr77m31zw |
| IUPAC Name | 1-bromo-4-isocyanatobenzene |
| InChI Key | CZQIJQFTRGDODI-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO |
Sodium 2,4-Dimethylbenzenesulfonate Monohydrate 98.0+%, TCI America™
CAS: 142063-30-7 Molecular Formula: C8H11NaO4S Molecular Weight (g/mol): 226.222 MDL Number: MFCD00041883 InChI Key: LAOKFSDVOMOLJF-UHFFFAOYSA-M Synonym: 2,4-Dimethylbenzenesulfonic Acid Sodium Salt, Sodium m-Xylene-4-sulfonate, m-Xylene-4-sulfonic Acid Sodium Salt PubChem CID: 70700101 IUPAC Name: sodium;2,4-dimethylbenzenesulfonate;hydrate SMILES: CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.O.[Na+]
| PubChem CID | 70700101 |
|---|---|
| CAS | 142063-30-7 |
| Molecular Weight (g/mol) | 226.222 |
| MDL Number | MFCD00041883 |
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)[O-])C.O.[Na+] |
| Synonym | 2,4-Dimethylbenzenesulfonic Acid Sodium Salt, Sodium m-Xylene-4-sulfonate, m-Xylene-4-sulfonic Acid Sodium Salt |
| IUPAC Name | sodium;2,4-dimethylbenzenesulfonate;hydrate |
| InChI Key | LAOKFSDVOMOLJF-UHFFFAOYSA-M |
| Molecular Formula | C8H11NaO4S |
2-Bromo-1,3-dimethoxybenzene 98.0+%, TCI America™
CAS: 16932-45-9 Molecular Formula: C8H9BrO2 Molecular Weight (g/mol): 217.062 MDL Number: MFCD07780177 InChI Key: VHVYSMMZHORFKU-UHFFFAOYSA-N PubChem CID: 612296 IUPAC Name: 2-bromo-1,3-dimethoxybenzene SMILES: COC1=C(C(=CC=C1)OC)Br
| PubChem CID | 612296 |
|---|---|
| CAS | 16932-45-9 |
| Molecular Weight (g/mol) | 217.062 |
| MDL Number | MFCD07780177 |
| SMILES | COC1=C(C(=CC=C1)OC)Br |
| IUPAC Name | 2-bromo-1,3-dimethoxybenzene |
| InChI Key | VHVYSMMZHORFKU-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO2 |
2,3-Bis(4-bromophenyl)-2-butenedinitrile 98.0+%, TCI America™
CAS: 315203-26-0 Molecular Formula: C16H8Br2N2 Molecular Weight (g/mol): 388.06 MDL Number: MFCD15072146 InChI Key: RWHQRUSYDYNSTI-UHFFFAOYSA-N PubChem CID: 69745618 IUPAC Name: bis(4-bromophenyl)but-2-enedinitrile SMILES: BrC1=CC=C(C=C1)C(C#N)=C(C#N)C1=CC=C(Br)C=C1
| PubChem CID | 69745618 |
|---|---|
| CAS | 315203-26-0 |
| Molecular Weight (g/mol) | 388.06 |
| MDL Number | MFCD15072146 |
| SMILES | BrC1=CC=C(C=C1)C(C#N)=C(C#N)C1=CC=C(Br)C=C1 |
| IUPAC Name | bis(4-bromophenyl)but-2-enedinitrile |
| InChI Key | RWHQRUSYDYNSTI-UHFFFAOYSA-N |
| Molecular Formula | C16H8Br2N2 |
4-Ethoxy-3-methoxybenzaldehyde 98.0+%, TCI America™
CAS: 120-25-2 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00016614 InChI Key: BERFDQAMXIBOHM-UHFFFAOYSA-N Synonym: 4-ethoxy-3-anisaldehyde,4-ethoxy-m-anisaldehyde,benzaldehyde, 4-ethoxy-3-methoxy,ethyl-vanillin,asischem n42243,4-ethoxy-3-methoxy-benzaldehyde,ethylvanillin?,4-ethoxyvanillin,vanillin ethyl ether,pubchem2648 PubChem CID: 67116 IUPAC Name: 4-ethoxy-3-methoxybenzaldehyde SMILES: CCOC1=C(C=C(C=C1)C=O)OC
| PubChem CID | 67116 |
|---|---|
| CAS | 120-25-2 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00016614 |
| SMILES | CCOC1=C(C=C(C=C1)C=O)OC |
| Synonym | 4-ethoxy-3-anisaldehyde,4-ethoxy-m-anisaldehyde,benzaldehyde, 4-ethoxy-3-methoxy,ethyl-vanillin,asischem n42243,4-ethoxy-3-methoxy-benzaldehyde,ethylvanillin?,4-ethoxyvanillin,vanillin ethyl ether,pubchem2648 |
| IUPAC Name | 4-ethoxy-3-methoxybenzaldehyde |
| InChI Key | BERFDQAMXIBOHM-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Propyl Salicylate 98.0+%, TCI America™
CAS: 607-90-9 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00045763 InChI Key: LZFIOSVZIQOVFW-UHFFFAOYSA-N Synonym: 2-Hydroxybenzoic Acid Propyl Ester, Salicylic Acid Propyl Ester, Propyl 2-Hydroxybenzoate PubChem CID: 69092 IUPAC Name: propyl 2-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=CC=C1O
| PubChem CID | 69092 |
|---|---|
| CAS | 607-90-9 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00045763 |
| SMILES | CCCOC(=O)C1=CC=CC=C1O |
| Synonym | 2-Hydroxybenzoic Acid Propyl Ester, Salicylic Acid Propyl Ester, Propyl 2-Hydroxybenzoate |
| IUPAC Name | propyl 2-hydroxybenzoate |
| InChI Key | LZFIOSVZIQOVFW-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
2-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine 98.0+%, TCI America™
CAS: 23449-08-3 Molecular Formula: C21H14BrN3 Molecular Weight (g/mol): 388.27 MDL Number: MFCD00194632 InChI Key: AYHGAQGOMUQMTR-UHFFFAOYSA-N PubChem CID: 1728672 IUPAC Name: 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine SMILES: BrC1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 1728672 |
|---|---|
| CAS | 23449-08-3 |
| Molecular Weight (g/mol) | 388.27 |
| MDL Number | MFCD00194632 |
| SMILES | BrC1=CC=C(C=C1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine |
| InChI Key | AYHGAQGOMUQMTR-UHFFFAOYSA-N |
| Molecular Formula | C21H14BrN3 |