Benzene and substituted derivatives
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4-Bromo-3,5-dimethoxybenzoic Acid 97.0+%, TCI America™
CAS: 56518-42-4 Molecular Formula: C9H8BrO4 Molecular Weight (g/mol): 260.06 MDL Number: MFCD01632140 InChI Key: JNFZULSIYYVRJO-UHFFFAOYSA-M Synonym: benzoic acid, 4-bromo-3,5-dimethoxy,zlchem 1334,acmc-1az7r,jnfzulsiyyvrjo-uhfffaoysa,3,5-dimethoxy-4-bromobenzoic acid,4-bromo-3,5-dimethoxybenzoic acid PubChem CID: 2774026 IUPAC Name: 4-bromo-3,5-dimethoxybenzoate SMILES: COC1=CC(=CC(OC)=C1Br)C([O-])=O
| PubChem CID | 2774026 |
|---|---|
| CAS | 56518-42-4 |
| Molecular Weight (g/mol) | 260.06 |
| MDL Number | MFCD01632140 |
| SMILES | COC1=CC(=CC(OC)=C1Br)C([O-])=O |
| Synonym | benzoic acid, 4-bromo-3,5-dimethoxy,zlchem 1334,acmc-1az7r,jnfzulsiyyvrjo-uhfffaoysa,3,5-dimethoxy-4-bromobenzoic acid,4-bromo-3,5-dimethoxybenzoic acid |
| IUPAC Name | 4-bromo-3,5-dimethoxybenzoate |
| InChI Key | JNFZULSIYYVRJO-UHFFFAOYSA-M |
| Molecular Formula | C9H8BrO4 |
4-Bromobenzylamine 98.0+%, TCI America™
CAS: 3959-07-7 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.05 MDL Number: MFCD00047931 InChI Key: XRNVSPDQTPVECU-UHFFFAOYSA-N PubChem CID: 77571 IUPAC Name: (4-bromophenyl)methanamine SMILES: C1=CC(=CC=C1CN)Br
| PubChem CID | 77571 |
|---|---|
| CAS | 3959-07-7 |
| Molecular Weight (g/mol) | 186.05 |
| MDL Number | MFCD00047931 |
| SMILES | C1=CC(=CC=C1CN)Br |
| IUPAC Name | (4-bromophenyl)methanamine |
| InChI Key | XRNVSPDQTPVECU-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrN |
Ethyl 4-Bromobenzoate 98.0+%, TCI America™
CAS: 5798-75-4 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00016329 InChI Key: XZIAFENWXIQIKR-UHFFFAOYSA-N Synonym: 4-bromobenzoic acid ethyl ester,ethyl p-bromobenzoate,benzoic acid, 4-bromo-, ethyl ester,ethyl4-bromobenzoate,ethyl-4-bromobenzoate,p-ethoxycarbonyl phenyl bromide,benzoic acid, p-bromo-, ethyl ester,4-bromo-benzoic acid ethyl ester,4-bromobenzoic acid, ethyl ester,ethyl-p-bromobenzoate PubChem CID: 22043 IUPAC Name: ethyl 4-bromobenzoate SMILES: CCOC(=O)C1=CC=C(Br)C=C1
| PubChem CID | 22043 |
|---|---|
| CAS | 5798-75-4 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00016329 |
| SMILES | CCOC(=O)C1=CC=C(Br)C=C1 |
| Synonym | 4-bromobenzoic acid ethyl ester,ethyl p-bromobenzoate,benzoic acid, 4-bromo-, ethyl ester,ethyl4-bromobenzoate,ethyl-4-bromobenzoate,p-ethoxycarbonyl phenyl bromide,benzoic acid, p-bromo-, ethyl ester,4-bromo-benzoic acid ethyl ester,4-bromobenzoic acid, ethyl ester,ethyl-p-bromobenzoate |
| IUPAC Name | ethyl 4-bromobenzoate |
| InChI Key | XZIAFENWXIQIKR-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
3-Chloro-5-fluorobenzyl Cyanide 98.0+%, TCI America™
CAS: 493038-93-0 Molecular Formula: C8H5ClFN Molecular Weight (g/mol): 169.583 MDL Number: MFCD04038259 InChI Key: GWPLYSLPTCBNDL-UHFFFAOYSA-N Synonym: 3-chloro-5-fluorophenylacetonitrile,2-3-chloro-5-fluorophenyl acetonitrile,3-chloro-5-fluorobenzyl cyanide,3-chloro-5-fluorophenyl acetonitrile,2-3-chloro-5-fluoro-phenyl acetonitrile,pubchem4280,ksc494a3d,3-chloro-5-fluorobenzylcyanide,2-5-chloro-3-fluorophenyl ethanenitrile PubChem CID: 2734836 IUPAC Name: 2-(3-chloro-5-fluorophenyl)acetonitrile SMILES: C1=C(C=C(C=C1F)Cl)CC#N
| PubChem CID | 2734836 |
|---|---|
| CAS | 493038-93-0 |
| Molecular Weight (g/mol) | 169.583 |
| MDL Number | MFCD04038259 |
| SMILES | C1=C(C=C(C=C1F)Cl)CC#N |
| Synonym | 3-chloro-5-fluorophenylacetonitrile,2-3-chloro-5-fluorophenyl acetonitrile,3-chloro-5-fluorobenzyl cyanide,3-chloro-5-fluorophenyl acetonitrile,2-3-chloro-5-fluoro-phenyl acetonitrile,pubchem4280,ksc494a3d,3-chloro-5-fluorobenzylcyanide,2-5-chloro-3-fluorophenyl ethanenitrile |
| IUPAC Name | 2-(3-chloro-5-fluorophenyl)acetonitrile |
| InChI Key | GWPLYSLPTCBNDL-UHFFFAOYSA-N |
| Molecular Formula | C8H5ClFN |
Phenyl Vinyl Sulfone 98.0+%, TCI America™
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: (ethenesulfonyl)benzene 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 | (ethenesulfonyl)benzene |
| InChI Key | UJTPZISIAWDGFF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2S |
Propyl 4-Hydroxybenzoate 99.0+%, TCI America™
CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002354 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N Synonym: propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept PubChem CID: 7175 ChEBI: CHEBI:32063 IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 7175 |
|---|---|
| CAS | 94-13-3 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:32063 |
| MDL Number | MFCD00002354 |
| SMILES | CCCOC(=O)C1=CC=C(C=C1)O |
| Synonym | propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept |
| IUPAC Name | propyl 4-hydroxybenzoate |
| InChI Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
2,4-Dichlorophenoxyacetic Acid 97.0+%, TCI America™
CAS: 94-75-7 Molecular Formula: C8H6Cl2O3 Molecular Weight (g/mol): 221.033 MDL Number: MFCD00004300 InChI Key: OVSKIKFHRZPJSS-UHFFFAOYSA-N Synonym: 2,4-dichlorophenoxyacetic acid,2-2,4-dichlorophenoxy acetic acid,2,4-dichlorophenoxy acetic acid,hedonal,rhodia,agrotect,fernesta,fernimine,netagrone,tributon PubChem CID: 1486 ChEBI: CHEBI:28854 IUPAC Name: 2-(2,4-dichlorophenoxy)acetic acid SMILES: C1=CC(=C(C=C1Cl)Cl)OCC(=O)O
| PubChem CID | 1486 |
|---|---|
| CAS | 94-75-7 |
| Molecular Weight (g/mol) | 221.033 |
| ChEBI | CHEBI:28854 |
| MDL Number | MFCD00004300 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)OCC(=O)O |
| Synonym | 2,4-dichlorophenoxyacetic acid,2-2,4-dichlorophenoxy acetic acid,2,4-dichlorophenoxy acetic acid,hedonal,rhodia,agrotect,fernesta,fernimine,netagrone,tributon |
| IUPAC Name | 2-(2,4-dichlorophenoxy)acetic acid |
| InChI Key | OVSKIKFHRZPJSS-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O3 |
p-Toluenesulfonyl Isocyanate 95.0+%, TCI America™
CAS: 4083-64-1 Molecular Formula: C8H7NO3S Molecular Weight (g/mol): 197.21 MDL Number: MFCD00002030 InChI Key: VLJQDHDVZJXNQL-UHFFFAOYSA-N Synonym: tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate PubChem CID: 77703 IUPAC Name: 4-methylbenzene-1-sulfonyl isocyanate SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C=O
| PubChem CID | 77703 |
|---|---|
| CAS | 4083-64-1 |
| Molecular Weight (g/mol) | 197.21 |
| MDL Number | MFCD00002030 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C=O |
| Synonym | tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate |
| IUPAC Name | 4-methylbenzene-1-sulfonyl isocyanate |
| InChI Key | VLJQDHDVZJXNQL-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO3S |
2,4,6-Trichlorophenyl Formate 97.0+%, TCI America™
CAS: 4525-65-9 Molecular Formula: C7H3Cl3O2 Molecular Weight (g/mol): 225.449 InChI Key: YSUDXADDVAYVNS-UHFFFAOYSA-N Synonym: Formic Acid 2,4,6-Trichlorophenyl Ester PubChem CID: 53750963 IUPAC Name: (2,4,6-trichlorophenyl) formate SMILES: C1=C(C=C(C(=C1Cl)OC=O)Cl)Cl
| PubChem CID | 53750963 |
|---|---|
| CAS | 4525-65-9 |
| Molecular Weight (g/mol) | 225.449 |
| SMILES | C1=C(C=C(C(=C1Cl)OC=O)Cl)Cl |
| Synonym | Formic Acid 2,4,6-Trichlorophenyl Ester |
| IUPAC Name | (2,4,6-trichlorophenyl) formate |
| InChI Key | YSUDXADDVAYVNS-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O2 |
1,4-Benzenedimethanol 99.0+%, TCI America™
CAS: 589-29-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00004665 InChI Key: BWVAOONFBYYRHY-UHFFFAOYSA-N Synonym: 1,4-benzenedimethanol,p-xylylene glycol,p-xylene glycol,terephthalyl alcohol,4-hydroxymethyl phenyl methanol,1,4-xylylene glycol,1,4-phenylenedimethanol,p-benzenedimethanol,p-xylylenediol,1,4-dimethylolbenzene PubChem CID: 11506 IUPAC Name: [4-(hydroxymethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CO)CO
| PubChem CID | 11506 |
|---|---|
| CAS | 589-29-7 |
| Molecular Weight (g/mol) | 138.166 |
| MDL Number | MFCD00004665 |
| SMILES | C1=CC(=CC=C1CO)CO |
| Synonym | 1,4-benzenedimethanol,p-xylylene glycol,p-xylene glycol,terephthalyl alcohol,4-hydroxymethyl phenyl methanol,1,4-xylylene glycol,1,4-phenylenedimethanol,p-benzenedimethanol,p-xylylenediol,1,4-dimethylolbenzene |
| IUPAC Name | [4-(hydroxymethyl)phenyl]methanol |
| InChI Key | BWVAOONFBYYRHY-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
2-Fluorophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 1993-03-9 Molecular Formula: C6H6BFO2 Molecular Weight (g/mol): 139.92 MDL Number: MFCD00674013 InChI Key: QCSLIRFWJPOENV-UHFFFAOYSA-N Synonym: 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl,boronic acid, 2-fluorophenyl,2-fluoro-phenyl-boronic acid,o-fluoro-benzeneboronic acid,benzeneboronic acid, o-fluoro PubChem CID: 2734354 IUPAC Name: (2-fluorophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1F
| PubChem CID | 2734354 |
|---|---|
| CAS | 1993-03-9 |
| Molecular Weight (g/mol) | 139.92 |
| MDL Number | MFCD00674013 |
| SMILES | OB(O)C1=CC=CC=C1F |
| Synonym | 2-fluorophenyl boronic acid,2-fluorobenzeneboronic acid,2-fluorophenyl boranediol,o-fluorophenylboronic acid,boronic acid, b-2-fluorophenyl,boronic acid, 2-fluorophenyl,2-fluoro-phenyl-boronic acid,o-fluoro-benzeneboronic acid,benzeneboronic acid, o-fluoro |
| IUPAC Name | (2-fluorophenyl)boronic acid |
| InChI Key | QCSLIRFWJPOENV-UHFFFAOYSA-N |
| Molecular Formula | C6H6BFO2 |
1,4-Diethoxybenzene 98.0+%, TCI America™
CAS: 122-95-2 Molecular Formula: C10H14O2 Molecular Weight (g/mol): 166.22 MDL Number: MFCD00015146 InChI Key: VWGNFIQXBYRDCH-UHFFFAOYSA-N Synonym: benzene, 1,4-diethoxy,p-diethoxybenzene,hydroquinone diethyl ether,benzene, p-diethoxy,diethoxybenzene,1,4-diethoxy-benzen,benzene,4-diethoxy,1,4-diethoxybenzol,hydroquinonedlethylether,acmc-209ans PubChem CID: 67150 IUPAC Name: 1,4-diethoxybenzene SMILES: CCOC1=CC=C(OCC)C=C1
| PubChem CID | 67150 |
|---|---|
| CAS | 122-95-2 |
| Molecular Weight (g/mol) | 166.22 |
| MDL Number | MFCD00015146 |
| SMILES | CCOC1=CC=C(OCC)C=C1 |
| Synonym | benzene, 1,4-diethoxy,p-diethoxybenzene,hydroquinone diethyl ether,benzene, p-diethoxy,diethoxybenzene,1,4-diethoxy-benzen,benzene,4-diethoxy,1,4-diethoxybenzol,hydroquinonedlethylether,acmc-209ans |
| IUPAC Name | 1,4-diethoxybenzene |
| InChI Key | VWGNFIQXBYRDCH-UHFFFAOYSA-N |
| Molecular Formula | C10H14O2 |
4-Aminosalicylic Acid 98.0+%, TCI America™
CAS: 65-49-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007789 InChI Key: WUBBRNOQWQTFEX-UHFFFAOYSA-N Synonym: 4-aminosalicylic acid,aminosalicylic acid,p-aminosalicylic acid,rezipas,pamisyl,parasalindon,aminopar,deapasil,ferrosan,apacil PubChem CID: 4649 ChEBI: CHEBI:27565 IUPAC Name: 4-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1N)O)C(=O)O
| PubChem CID | 4649 |
|---|---|
| CAS | 65-49-6 |
| Molecular Weight (g/mol) | 153.137 |
| ChEBI | CHEBI:27565 |
| MDL Number | MFCD00007789 |
| SMILES | C1=CC(=C(C=C1N)O)C(=O)O |
| Synonym | 4-aminosalicylic acid,aminosalicylic acid,p-aminosalicylic acid,rezipas,pamisyl,parasalindon,aminopar,deapasil,ferrosan,apacil |
| IUPAC Name | 4-amino-2-hydroxybenzoic acid |
| InChI Key | WUBBRNOQWQTFEX-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
3,4-Diethoxybenzoic Acid 98.0+%, TCI America™
CAS: 5409-31-4 Molecular Formula: C11H14O4 Molecular Weight (g/mol): 210.229 MDL Number: MFCD00002504 InChI Key: VVKCVAPLTRZJHH-UHFFFAOYSA-N Synonym: benzoic acid, 3,4-diethoxy,benzoicacid34diethoxy,3,4-diethoxy-benzoic acid,acmc-1apyn,ksc271i5p,3,4-bis ethyloxy benzoic acid,3,4-diethoxybenzoic acid PubChem CID: 79417 IUPAC Name: 3,4-diethoxybenzoic acid SMILES: CCOC1=C(C=C(C=C1)C(=O)O)OCC
| PubChem CID | 79417 |
|---|---|
| CAS | 5409-31-4 |
| Molecular Weight (g/mol) | 210.229 |
| MDL Number | MFCD00002504 |
| SMILES | CCOC1=C(C=C(C=C1)C(=O)O)OCC |
| Synonym | benzoic acid, 3,4-diethoxy,benzoicacid34diethoxy,3,4-diethoxy-benzoic acid,acmc-1apyn,ksc271i5p,3,4-bis ethyloxy benzoic acid,3,4-diethoxybenzoic acid |
| IUPAC Name | 3,4-diethoxybenzoic acid |
| InChI Key | VVKCVAPLTRZJHH-UHFFFAOYSA-N |
| Molecular Formula | C11H14O4 |