Benzene and substituted derivatives
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m-Xylene-4-sulfonic Acid Hydrate 98.0+%, TCI America™
CAS: 88-61-9 Molecular Formula: C8H10O3S Molecular Weight (g/mol): 186.225 MDL Number: MFCD00007483 InChI Key: CHZLVSBMXZSPNN-UHFFFAOYSA-N Synonym: 2,4-Dimethylbenzenesulfonic Acid PubChem CID: 6938 IUPAC Name: 2,4-dimethylbenzenesulfonic acid SMILES: CC1=CC(=C(C=C1)S(=O)(=O)O)C
| PubChem CID | 6938 |
|---|---|
| CAS | 88-61-9 |
| Molecular Weight (g/mol) | 186.225 |
| MDL Number | MFCD00007483 |
| SMILES | CC1=CC(=C(C=C1)S(=O)(=O)O)C |
| Synonym | 2,4-Dimethylbenzenesulfonic Acid |
| IUPAC Name | 2,4-dimethylbenzenesulfonic acid |
| InChI Key | CHZLVSBMXZSPNN-UHFFFAOYSA-N |
| Molecular Formula | C8H10O3S |
N-(2,4-Dinitrophenyl)-L-serine 98.0+%, TCI America™
CAS: 1655-64-7 Molecular Formula: C9H9N3O7 Molecular Weight (g/mol): 271.185 MDL Number: MFCD00038098 InChI Key: SBQZBOCQYMVLTC-ZETCQYMHSA-N Synonym: n-2,4-dinitrophenyl-l-serine,dnp-ser,n-dnp-l-serine,2s-2-2,4-dinitrophenyl amino-3-hydroxypropanoic acid,1oau,serine, n-2,4-dinitrophenyl-, dl,dnp-ser-oh,ser-dnf,n-2-4-dnp-l-serine,n-2,4-dnp-l-serine PubChem CID: 96800 ChEBI: CHEBI:53084 SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CO)C(=O)O
| PubChem CID | 96800 |
|---|---|
| CAS | 1655-64-7 |
| Molecular Weight (g/mol) | 271.185 |
| ChEBI | CHEBI:53084 |
| MDL Number | MFCD00038098 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NC(CO)C(=O)O |
| Synonym | n-2,4-dinitrophenyl-l-serine,dnp-ser,n-dnp-l-serine,2s-2-2,4-dinitrophenyl amino-3-hydroxypropanoic acid,1oau,serine, n-2,4-dinitrophenyl-, dl,dnp-ser-oh,ser-dnf,n-2-4-dnp-l-serine,n-2,4-dnp-l-serine |
| InChI Key | SBQZBOCQYMVLTC-ZETCQYMHSA-N |
| Molecular Formula | C9H9N3O7 |
1,2-Dibromo-4,5-difluorobenzene 97.0+%, TCI America™
CAS: 64695-78-9 Molecular Formula: C6H2Br2F2 Molecular Weight (g/mol): 271.887 MDL Number: MFCD00009890 InChI Key: JTEZQWOKRHOKDG-UHFFFAOYSA-N Synonym: benzene, 1,2-dibromo-4,5-difluoro,1,2-dibromo-4,5-difluoro-benzene,1,2-difluoro-4,5-dibromobenzene,zlchem 536,pubchem3440,acmc-1biw8,1,2-dibromo-4,5-difluorobenzene,benzene, 1,2-dibromo-4,5-difluoro-;1,2-dibromo-4,5-difl PubChem CID: 94949 IUPAC Name: 1,2-dibromo-4,5-difluorobenzene SMILES: C1=C(C(=CC(=C1Br)Br)F)F
| PubChem CID | 94949 |
|---|---|
| CAS | 64695-78-9 |
| Molecular Weight (g/mol) | 271.887 |
| MDL Number | MFCD00009890 |
| SMILES | C1=C(C(=CC(=C1Br)Br)F)F |
| Synonym | benzene, 1,2-dibromo-4,5-difluoro,1,2-dibromo-4,5-difluoro-benzene,1,2-difluoro-4,5-dibromobenzene,zlchem 536,pubchem3440,acmc-1biw8,1,2-dibromo-4,5-difluorobenzene,benzene, 1,2-dibromo-4,5-difluoro-;1,2-dibromo-4,5-difl |
| IUPAC Name | 1,2-dibromo-4,5-difluorobenzene |
| InChI Key | JTEZQWOKRHOKDG-UHFFFAOYSA-N |
| Molecular Formula | C6H2Br2F2 |
Diethyl Ethyl(phenyl)malonate 98.0+%, TCI America™
CAS: 76-67-5 Molecular Formula: C15H20O4 Molecular Weight (g/mol): 264.321 MDL Number: MFCD00040759 InChI Key: PKRVDBARWFJWEB-UHFFFAOYSA-N Synonym: diethyl 2-ethyl-2-phenylmalonate,diethyl ethylphenylmalonate,diethyl ethyl phenyl malonate,propanedioic acid, ethylphenyl-, diethyl ester,ethylphenylmalonic acid diethyl ester,diethyl 2-ethyl-2-phenyl-propanedioate,propanedioic acid, 2-ethyl-2-phenyl-, 1,3-diethyl ester,1,3-diethyl 2-ethyl-2-phenylpropanedioate,diethyl 2-ethyl-2-phenylpropane-1,3-dioate,malonic acid, ethylphenyl-, diethyl ester PubChem CID: 66450 IUPAC Name: diethyl 2-ethyl-2-phenylpropanedioate SMILES: CCC(C1=CC=CC=C1)(C(=O)OCC)C(=O)OCC
| PubChem CID | 66450 |
|---|---|
| CAS | 76-67-5 |
| Molecular Weight (g/mol) | 264.321 |
| MDL Number | MFCD00040759 |
| SMILES | CCC(C1=CC=CC=C1)(C(=O)OCC)C(=O)OCC |
| Synonym | diethyl 2-ethyl-2-phenylmalonate,diethyl ethylphenylmalonate,diethyl ethyl phenyl malonate,propanedioic acid, ethylphenyl-, diethyl ester,ethylphenylmalonic acid diethyl ester,diethyl 2-ethyl-2-phenyl-propanedioate,propanedioic acid, 2-ethyl-2-phenyl-, 1,3-diethyl ester,1,3-diethyl 2-ethyl-2-phenylpropanedioate,diethyl 2-ethyl-2-phenylpropane-1,3-dioate,malonic acid, ethylphenyl-, diethyl ester |
| IUPAC Name | diethyl 2-ethyl-2-phenylpropanedioate |
| InChI Key | PKRVDBARWFJWEB-UHFFFAOYSA-N |
| Molecular Formula | C15H20O4 |
2,5-Dihydroxyterephthalic Acid 98.0+%, TCI America™
CAS: 610-92-4 Molecular Formula: C8H6O6 Molecular Weight (g/mol): 198.13 MDL Number: MFCD00132933 InChI Key: OYFRNYNHAZOYNF-UHFFFAOYSA-N Synonym: 1,4-benzenedicarboxylic acid, 2,5-dihydroxy,2,5-dihydroxyterephthalicacid,2,5-dihydroxy-1,4-benzenedicarboxylic acid,2,5-dihydroxybenzene-1,4-dicarboxylic acid,zlchem 699,acmc-1ayqi,1, 2,5-dihydroxy,2,5-dihydroxytelephthalic acid,#,2,5-dihydroxyterephthalic acid PubChem CID: 69131 IUPAC Name: 2,5-dihydroxyterephthalic acid SMILES: C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O
| PubChem CID | 69131 |
|---|---|
| CAS | 610-92-4 |
| Molecular Weight (g/mol) | 198.13 |
| MDL Number | MFCD00132933 |
| SMILES | C1=C(C(=CC(=C1O)C(=O)O)O)C(=O)O |
| Synonym | 1,4-benzenedicarboxylic acid, 2,5-dihydroxy,2,5-dihydroxyterephthalicacid,2,5-dihydroxy-1,4-benzenedicarboxylic acid,2,5-dihydroxybenzene-1,4-dicarboxylic acid,zlchem 699,acmc-1ayqi,1, 2,5-dihydroxy,2,5-dihydroxytelephthalic acid,#,2,5-dihydroxyterephthalic acid |
| IUPAC Name | 2,5-dihydroxyterephthalic acid |
| InChI Key | OYFRNYNHAZOYNF-UHFFFAOYSA-N |
| Molecular Formula | C8H6O6 |
2,4-Difluorobenzyl Cyanide 98.0+%, TCI America™
CAS: 656-35-9 Molecular Formula: C8H5F2N Molecular Weight (g/mol): 153.132 MDL Number: MFCD00009971 InChI Key: AGAOESUOSOGZOD-UHFFFAOYSA-N Synonym: 2,4-difluorophenylacetonitrile,2-2,4-difluorophenyl acetonitrile,2,4-difluorobenzyl cyanide,2,4-difluorobenzylcyanide,benzeneacetonitrile, 2,4-difluoro,2,4-difluorophenyl acetonitrile,2,4-difluoro-phenyl-acetonitrile,2-2,4-difluorophenyl ethanenitrile,nc1r bf df PubChem CID: 69565 IUPAC Name: 2-(2,4-difluorophenyl)acetonitrile SMILES: C1=CC(=C(C=C1F)F)CC#N
| PubChem CID | 69565 |
|---|---|
| CAS | 656-35-9 |
| Molecular Weight (g/mol) | 153.132 |
| MDL Number | MFCD00009971 |
| SMILES | C1=CC(=C(C=C1F)F)CC#N |
| Synonym | 2,4-difluorophenylacetonitrile,2-2,4-difluorophenyl acetonitrile,2,4-difluorobenzyl cyanide,2,4-difluorobenzylcyanide,benzeneacetonitrile, 2,4-difluoro,2,4-difluorophenyl acetonitrile,2,4-difluoro-phenyl-acetonitrile,2-2,4-difluorophenyl ethanenitrile,nc1r bf df |
| IUPAC Name | 2-(2,4-difluorophenyl)acetonitrile |
| InChI Key | AGAOESUOSOGZOD-UHFFFAOYSA-N |
| Molecular Formula | C8H5F2N |
3,5-Dibromobenzoic Acid 97.0+%, TCI America™
CAS: 618-58-6 Molecular Formula: C7H4Br2O2 Molecular Weight (g/mol): 279.92 MDL Number: MFCD00051758 InChI Key: SFTFNJZWZHASAQ-UHFFFAOYSA-N Synonym: benzoic acid, 3,5-dibromo,3,5-dibromobenzoicacid,benzoicacid, 3,5-dibromo,buttpark 99\57-19,pubchem3861,acmc-209mwz,maybridge1_003318,3,5-dibromo-benzoic acid,4-09-00-01028 beilstein handbook reference,ksc358a3h PubChem CID: 12063 IUPAC Name: 3,5-dibromobenzoic acid SMILES: OC(=O)C1=CC(Br)=CC(Br)=C1
| PubChem CID | 12063 |
|---|---|
| CAS | 618-58-6 |
| Molecular Weight (g/mol) | 279.92 |
| MDL Number | MFCD00051758 |
| SMILES | OC(=O)C1=CC(Br)=CC(Br)=C1 |
| Synonym | benzoic acid, 3,5-dibromo,3,5-dibromobenzoicacid,benzoicacid, 3,5-dibromo,buttpark 99\57-19,pubchem3861,acmc-209mwz,maybridge1_003318,3,5-dibromo-benzoic acid,4-09-00-01028 beilstein handbook reference,ksc358a3h |
| IUPAC Name | 3,5-dibromobenzoic acid |
| InChI Key | SFTFNJZWZHASAQ-UHFFFAOYSA-N |
| Molecular Formula | C7H4Br2O2 |
3,5-Dimethoxybenzylamine 98.0+%, TCI America™
CAS: 34967-24-3 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.208 MDL Number: MFCD00052813 InChI Key: YGZJTYCCONJJGZ-UHFFFAOYSA-N Synonym: 3,5-dimethoxybenzylamine,3,5-dimethoxybenzyl amine,3,5-dimethoxyphenyl methanamine,1-3,5-dimethoxyphenyl methanamine,3,5-dimethoxy benzyl amine,3,5-dimethoxyphenyl methylamine,benzenemethanamine, 3,5-dimethoxy,pubchem7393,3,5-dimethoxy benzylamine,3,5-dimethoxy-benzylamine PubChem CID: 420973 IUPAC Name: (3,5-dimethoxyphenyl)methanamine SMILES: COC1=CC(=CC(=C1)CN)OC
| PubChem CID | 420973 |
|---|---|
| CAS | 34967-24-3 |
| Molecular Weight (g/mol) | 167.208 |
| MDL Number | MFCD00052813 |
| SMILES | COC1=CC(=CC(=C1)CN)OC |
| Synonym | 3,5-dimethoxybenzylamine,3,5-dimethoxybenzyl amine,3,5-dimethoxyphenyl methanamine,1-3,5-dimethoxyphenyl methanamine,3,5-dimethoxy benzyl amine,3,5-dimethoxyphenyl methylamine,benzenemethanamine, 3,5-dimethoxy,pubchem7393,3,5-dimethoxy benzylamine,3,5-dimethoxy-benzylamine |
| IUPAC Name | (3,5-dimethoxyphenyl)methanamine |
| InChI Key | YGZJTYCCONJJGZ-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO2 |
Diethyl (4-Bromophenyl)phosphonate 98.0+%, TCI America™
CAS: 20677-12-7 Molecular Formula: C10H14BrO3P Molecular Weight (g/mol): 293.10 MDL Number: MFCD00769296 InChI Key: WBJRWCXJMRZDPA-UHFFFAOYSA-N Synonym: (4-Bromophenyl)phosphonic Acid Diethyl Ester PubChem CID: 12625835 IUPAC Name: diethyl (4-bromophenyl)phosphonate SMILES: CCOP(=O)(OCC)C1=CC=C(Br)C=C1
| PubChem CID | 12625835 |
|---|---|
| CAS | 20677-12-7 |
| Molecular Weight (g/mol) | 293.10 |
| MDL Number | MFCD00769296 |
| SMILES | CCOP(=O)(OCC)C1=CC=C(Br)C=C1 |
| Synonym | (4-Bromophenyl)phosphonic Acid Diethyl Ester |
| IUPAC Name | diethyl (4-bromophenyl)phosphonate |
| InChI Key | WBJRWCXJMRZDPA-UHFFFAOYSA-N |
| Molecular Formula | C10H14BrO3P |
Methyl 4-(Aminomethyl)benzoate Hydrochloride 98.0+%, TCI America™
CAS: 6232-11-7 Molecular Formula: C9H12ClNO2 Molecular Weight (g/mol): 201.65 MDL Number: MFCD00182671 InChI Key: GIZCKBSSWNIUMZ-UHFFFAOYSA-N Synonym: methyl 4-aminomethyl benzoate hydrochloride,methyl 4-aminomethylbenzoate hydrochloride,methyl-4-aminomethyl benzoate hydrochloride,methyl 4-aminomethylbenzoate hcl,methyl 4-aminomethyl benzoate, hcl,4-aminomethyl benzoic acid methyl ester hydrochloride,methyl4-aminomethyl benzoatehydrochloride,methyl 4-aminomethyl-benzoate hydrochloride,4-aminomethyl benzoic acid methyl ester hcl,4-aminomethylbenzoic acid methyl ester hydrochloride PubChem CID: 2729253 IUPAC Name: methyl 4-(aminomethyl)benzoate;hydrochloride SMILES: COC(=O)C1=CC=C(C=C1)CN.Cl
| PubChem CID | 2729253 |
|---|---|
| CAS | 6232-11-7 |
| Molecular Weight (g/mol) | 201.65 |
| MDL Number | MFCD00182671 |
| SMILES | COC(=O)C1=CC=C(C=C1)CN.Cl |
| Synonym | methyl 4-aminomethyl benzoate hydrochloride,methyl 4-aminomethylbenzoate hydrochloride,methyl-4-aminomethyl benzoate hydrochloride,methyl 4-aminomethylbenzoate hcl,methyl 4-aminomethyl benzoate, hcl,4-aminomethyl benzoic acid methyl ester hydrochloride,methyl4-aminomethyl benzoatehydrochloride,methyl 4-aminomethyl-benzoate hydrochloride,4-aminomethyl benzoic acid methyl ester hcl,4-aminomethylbenzoic acid methyl ester hydrochloride |
| IUPAC Name | methyl 4-(aminomethyl)benzoate;hydrochloride |
| InChI Key | GIZCKBSSWNIUMZ-UHFFFAOYSA-N |
| Molecular Formula | C9H12ClNO2 |
4-Isopropyl-3-methylphenol 99.0+%, TCI America™
CAS: 3228-02-2 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00010704 InChI Key: IJALWSVNUBBQRA-UHFFFAOYSA-N Synonym: Biosol, 4-Isopropyl-m-cresol PubChem CID: 18597 ChEBI: CHEBI:34429 IUPAC Name: 3-methyl-4-propan-2-ylphenol SMILES: CC1=C(C=CC(=C1)O)C(C)C
| PubChem CID | 18597 |
|---|---|
| CAS | 3228-02-2 |
| Molecular Weight (g/mol) | 150.22 |
| ChEBI | CHEBI:34429 |
| MDL Number | MFCD00010704 |
| SMILES | CC1=C(C=CC(=C1)O)C(C)C |
| Synonym | Biosol, 4-Isopropyl-m-cresol |
| IUPAC Name | 3-methyl-4-propan-2-ylphenol |
| InChI Key | IJALWSVNUBBQRA-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
5-Bromo-2-chloroanisole 98.0+%, TCI America™
CAS: 16817-43-9 Molecular Formula: C7H6BrClO Molecular Weight (g/mol): 221.48 MDL Number: MFCD00078659 InChI Key: UAMVKOTWSHJOSY-UHFFFAOYSA-N Synonym: 5-bromo-2-chloroanisole,5-bromo-2-chloroanisol,4-chloro-3-methoxybromobenzene,2-chloro-5-bromoanisole,5-bromo-2-chloro-anisole,benzene, 4-bromo-1-chloro-2-methoxy,4-bromo-1-chloro-2-methoxy-benzene,zlchem 582,pubchem2632,acmc-209dxq PubChem CID: 2769567 IUPAC Name: 4-bromo-1-chloro-2-methoxybenzene SMILES: COC1=C(Cl)C=CC(Br)=C1
| PubChem CID | 2769567 |
|---|---|
| CAS | 16817-43-9 |
| Molecular Weight (g/mol) | 221.48 |
| MDL Number | MFCD00078659 |
| SMILES | COC1=C(Cl)C=CC(Br)=C1 |
| Synonym | 5-bromo-2-chloroanisole,5-bromo-2-chloroanisol,4-chloro-3-methoxybromobenzene,2-chloro-5-bromoanisole,5-bromo-2-chloro-anisole,benzene, 4-bromo-1-chloro-2-methoxy,4-bromo-1-chloro-2-methoxy-benzene,zlchem 582,pubchem2632,acmc-209dxq |
| IUPAC Name | 4-bromo-1-chloro-2-methoxybenzene |
| InChI Key | UAMVKOTWSHJOSY-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrClO |
2-Bromophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 244205-40-1 Molecular Formula: C6H6BBrO2 Molecular Weight (g/mol): 200.83 MDL Number: MFCD01114672 InChI Key: PLVCYMZAEQRYHJ-UHFFFAOYSA-N Synonym: 2-bromophenyl boronic acid,o-bromophenylboronic acid,2-bromobenzeneboronic acid,2-bromophenylboronicacid,boronic acid, 2-bromophenyl,bromobenzeneboronic acid,pubchem13095,2-bromo phenyl boronic acid,2-bromo-phenyl boronic acid PubChem CID: 2773294 IUPAC Name: (2-bromophenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1Br
| PubChem CID | 2773294 |
|---|---|
| CAS | 244205-40-1 |
| Molecular Weight (g/mol) | 200.83 |
| MDL Number | MFCD01114672 |
| SMILES | OB(O)C1=CC=CC=C1Br |
| Synonym | 2-bromophenyl boronic acid,o-bromophenylboronic acid,2-bromobenzeneboronic acid,2-bromophenylboronicacid,boronic acid, 2-bromophenyl,bromobenzeneboronic acid,pubchem13095,2-bromo phenyl boronic acid,2-bromo-phenyl boronic acid |
| IUPAC Name | (2-bromophenyl)boronic acid |
| InChI Key | PLVCYMZAEQRYHJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6BBrO2 |