Benzene and substituted derivatives
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2,4-Dinitrobenzenesulfonic acid sodium salt, 97%
CAS: 885-62-1 Molecular Formula: C6H3N2NaO7S Molecular Weight (g/mol): 270.15 MDL Number: MFCD00007471,MFCD10567393 InChI Key: GSBYVRKLPCSLNV-UHFFFAOYSA-M Synonym: sodium 2,4-dinitrobenzenesulfonate hydrate,acmc-209quh,sodium dnbs hydrate,2,4-dinitrobenzenesulfonic acid sodium salt hydrate PubChem CID: 70700115 IUPAC Name: sodium;2,4-dinitrobenzenesulfonate;hydrate SMILES: [Na+].[O-][N+](=O)C1=CC=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O
| PubChem CID | 70700115 |
|---|---|
| CAS | 885-62-1 |
| Molecular Weight (g/mol) | 270.15 |
| MDL Number | MFCD00007471,MFCD10567393 |
| SMILES | [Na+].[O-][N+](=O)C1=CC=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O |
| Synonym | sodium 2,4-dinitrobenzenesulfonate hydrate,acmc-209quh,sodium dnbs hydrate,2,4-dinitrobenzenesulfonic acid sodium salt hydrate |
| IUPAC Name | sodium;2,4-dinitrobenzenesulfonate;hydrate |
| InChI Key | GSBYVRKLPCSLNV-UHFFFAOYSA-M |
| Molecular Formula | C6H3N2NaO7S |
2'-Methylacetanilide, 98+%
CAS: 120-66-1 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.193 MDL Number: MFCD00014961 InChI Key: BPEXTIMJLDWDTL-UHFFFAOYSA-N Synonym: o-acetotoluidide,2'-methylacetanilide,n-o-tolyl acetamide,n-2-methylphenyl acetamide,acetyl-o-toluidine,n-acetyl-o-toluidine,o-acetotoluide,acetamide, n-2-methylphenyl,o-methylacetanilide,n-o-tolylacetamide PubChem CID: 8443 IUPAC Name: N-(2-methylphenyl)acetamide SMILES: CC1=CC=CC=C1NC(=O)C
| PubChem CID | 8443 |
|---|---|
| CAS | 120-66-1 |
| Molecular Weight (g/mol) | 149.193 |
| MDL Number | MFCD00014961 |
| SMILES | CC1=CC=CC=C1NC(=O)C |
| Synonym | o-acetotoluidide,2'-methylacetanilide,n-o-tolyl acetamide,n-2-methylphenyl acetamide,acetyl-o-toluidine,n-acetyl-o-toluidine,o-acetotoluide,acetamide, n-2-methylphenyl,o-methylacetanilide,n-o-tolylacetamide |
| IUPAC Name | N-(2-methylphenyl)acetamide |
| InChI Key | BPEXTIMJLDWDTL-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
4-Acetamidobenzeneboronic acid, 96%
CAS: 101251-09-6 Molecular Formula: C8H10BNO3 Molecular Weight (g/mol): 178.98 MDL Number: MFCD02179451 InChI Key: VYEWTHXZHHATTA-UHFFFAOYSA-N Synonym: 4-acetylaminophenylboronic acid,4-acetamidophenyl boronic acid,p-acetamidophenylboronic acid,4-acetamidobenzeneboronic acid,4-acetamidophenyl-boronic acid,4-acetaminophenyl boronic acid,4-acetylaminophenyl boronic acid,4-acetylamino phenylboronic acid,boronic acid, 4-acetylamino phenyl PubChem CID: 2734657 IUPAC Name: (4-acetamidophenyl)boronic acid SMILES: CC(=O)NC1=CC=C(C=C1)B(O)O
| PubChem CID | 2734657 |
|---|---|
| CAS | 101251-09-6 |
| Molecular Weight (g/mol) | 178.98 |
| MDL Number | MFCD02179451 |
| SMILES | CC(=O)NC1=CC=C(C=C1)B(O)O |
| Synonym | 4-acetylaminophenylboronic acid,4-acetamidophenyl boronic acid,p-acetamidophenylboronic acid,4-acetamidobenzeneboronic acid,4-acetamidophenyl-boronic acid,4-acetaminophenyl boronic acid,4-acetylaminophenyl boronic acid,4-acetylamino phenylboronic acid,boronic acid, 4-acetylamino phenyl |
| IUPAC Name | (4-acetamidophenyl)boronic acid |
| InChI Key | VYEWTHXZHHATTA-UHFFFAOYSA-N |
| Molecular Formula | C8H10BNO3 |
3-Acetamidobenzeneboronic acid, 98%
CAS: 78887-39-5 Molecular Formula: C8H10BNO3 Molecular Weight (g/mol): 178.982 MDL Number: MFCD00236013 InChI Key: IBTSWKLSEOGJGJ-UHFFFAOYSA-N Synonym: 3-acetylaminophenylboronic acid,3-acetamidophenyl boronic acid,3-acetamidobenzeneboronic acid,3-acetylaminophenyl boronic acid,m-acetamidophenylboronic acid,boronic acid, 3-acetylamino phenyl,n-3-dihydroxyboranyl phenyl acetamide,3-acetylamino phenylboronic acid PubChem CID: 157274 IUPAC Name: (3-acetamidophenyl)boronic acid SMILES: B(C1=CC(=CC=C1)NC(=O)C)(O)O
| PubChem CID | 157274 |
|---|---|
| CAS | 78887-39-5 |
| Molecular Weight (g/mol) | 178.982 |
| MDL Number | MFCD00236013 |
| SMILES | B(C1=CC(=CC=C1)NC(=O)C)(O)O |
| Synonym | 3-acetylaminophenylboronic acid,3-acetamidophenyl boronic acid,3-acetamidobenzeneboronic acid,3-acetylaminophenyl boronic acid,m-acetamidophenylboronic acid,boronic acid, 3-acetylamino phenyl,n-3-dihydroxyboranyl phenyl acetamide,3-acetylamino phenylboronic acid |
| IUPAC Name | (3-acetamidophenyl)boronic acid |
| InChI Key | IBTSWKLSEOGJGJ-UHFFFAOYSA-N |
| Molecular Formula | C8H10BNO3 |
2-Acetamidophenol, 97%
CAS: 614-80-2 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00002181 InChI Key: ADVGKWPZRIDURE-UHFFFAOYSA-N Synonym: 2-acetamidophenol,n-2-hydroxyphenyl acetamide,2'-hydroxyacetanilide,o-hydroxyacetanilide,2-acetaminophenol,2-hydroxyacetanilide,o-acetamidophenol,o-acetylamino phenol,2-acetylamino phenol,o-acetaminophenol PubChem CID: 11972 IUPAC Name: N-(2-hydroxyphenyl)acetamide SMILES: CC(=O)NC1=CC=CC=C1O
| PubChem CID | 11972 |
|---|---|
| CAS | 614-80-2 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00002181 |
| SMILES | CC(=O)NC1=CC=CC=C1O |
| Synonym | 2-acetamidophenol,n-2-hydroxyphenyl acetamide,2'-hydroxyacetanilide,o-hydroxyacetanilide,2-acetaminophenol,2-hydroxyacetanilide,o-acetamidophenol,o-acetylamino phenol,2-acetylamino phenol,o-acetaminophenol |
| IUPAC Name | N-(2-hydroxyphenyl)acetamide |
| InChI Key | ADVGKWPZRIDURE-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
4'-Nitroacetanilide, Spectrum™ Chemical
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CAS: 104-04-1
| CAS | 104-04-1 |
|---|
4-Acetamidobenzaldehyde, 98%
CAS: 122-85-0 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00003380 InChI Key: SKLUWKYNZNXSLX-UHFFFAOYSA-N Synonym: 4-acetamidobenzaldehyde,n-4-formylphenyl acetamide,4-acetylaminobenzaldehyde,p-formylacetanilide,acetamide, n-4-formylphenyl,micotiazone,4-formylacetanilide,4'-formylacetanilide,p-acetamidobenzaldehyde,p-acetaminobenzaldehyde PubChem CID: 73942 IUPAC Name: N-(4-formylphenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)C=O
| PubChem CID | 73942 |
|---|---|
| CAS | 122-85-0 |
| Molecular Weight (g/mol) | 163.18 |
| MDL Number | MFCD00003380 |
| SMILES | CC(=O)NC1=CC=C(C=C1)C=O |
| Synonym | 4-acetamidobenzaldehyde,n-4-formylphenyl acetamide,4-acetylaminobenzaldehyde,p-formylacetanilide,acetamide, n-4-formylphenyl,micotiazone,4-formylacetanilide,4'-formylacetanilide,p-acetamidobenzaldehyde,p-acetaminobenzaldehyde |
| IUPAC Name | N-(4-formylphenyl)acetamide |
| InChI Key | SKLUWKYNZNXSLX-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
Leflunomide
CAS: 75706-12-6 Molecular Formula: C12H9F3N2O2 Molecular Weight (g/mol): 270.211 MDL Number: MFCD00867593 InChI Key: VHOGYURTWQBHIL-UHFFFAOYSA-N Synonym: leflunomide,arava,leflunomidum,lefunamide,leflunomida,leflunomidum inn-latin,5-methyl-n-4-trifluoromethyl phenyl-1,2-oxazole-4-carboxamide,leflunomida inn-spanish,su 101 pharmaceutical,arava tn PubChem CID: 3899 ChEBI: CHEBI:6402 IUPAC Name: 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide SMILES: CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F
| PubChem CID | 3899 |
|---|---|
| CAS | 75706-12-6 |
| Molecular Weight (g/mol) | 270.211 |
| ChEBI | CHEBI:6402 |
| MDL Number | MFCD00867593 |
| SMILES | CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F |
| Synonym | leflunomide,arava,leflunomidum,lefunamide,leflunomida,leflunomidum inn-latin,5-methyl-n-4-trifluoromethyl phenyl-1,2-oxazole-4-carboxamide,leflunomida inn-spanish,su 101 pharmaceutical,arava tn |
| IUPAC Name | 5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide |
| InChI Key | VHOGYURTWQBHIL-UHFFFAOYSA-N |
| Molecular Formula | C12H9F3N2O2 |
4'-Aminoacetanilide, 95%
CAS: 122-80-5 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00007853 InChI Key: CHMBIJAOCISYEW-UHFFFAOYSA-N Synonym: 4'-aminoacetanilide,n-4-aminophenyl acetamide,p-aminoacetanilide,4-aminoacetanilide,4-acetamidoaniline,p-amino acetanilide,p-acetamidoaniline,acetparamin,acetamide, n-4-aminophenyl,fourrine a PubChem CID: 31230 IUPAC Name: N-(4-aminophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)N
| PubChem CID | 31230 |
|---|---|
| CAS | 122-80-5 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00007853 |
| SMILES | CC(=O)NC1=CC=C(C=C1)N |
| Synonym | 4'-aminoacetanilide,n-4-aminophenyl acetamide,p-aminoacetanilide,4-aminoacetanilide,4-acetamidoaniline,p-amino acetanilide,p-acetamidoaniline,acetparamin,acetamide, n-4-aminophenyl,fourrine a |
| IUPAC Name | N-(4-aminophenyl)acetamide |
| InChI Key | CHMBIJAOCISYEW-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |
Linomide
CAS: 84088-42-6 Molecular Formula: C18H16N2O3 Molecular Weight (g/mol): 308.337 MDL Number: MFCD00866331 InChI Key: SGOOQMRIPALTEL-UHFFFAOYSA-N Synonym: linomide,roquinimex,roquinimexum latin,roquinimex usan:inn,ccris 7673,fcf 89,fcf-89,n-phenyl-n-methyl-1,2-dihydro-4-hydroxy-1-methyl-2-oxo-quinoline-3-carboxamide,1,2-dihydro-4-hydroxy-n,1-dimethyl-2-oxo-3-quinolinecarboxanilide,4-hydroxy-n,1-dimethyl-2-oxo-n-phenyl-1,2-dihydroquinoline-3-carboxamide PubChem CID: 54676478 IUPAC Name: 4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide SMILES: CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O
| PubChem CID | 54676478 |
|---|---|
| CAS | 84088-42-6 |
| Molecular Weight (g/mol) | 308.337 |
| MDL Number | MFCD00866331 |
| SMILES | CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O |
| Synonym | linomide,roquinimex,roquinimexum latin,roquinimex usan:inn,ccris 7673,fcf 89,fcf-89,n-phenyl-n-methyl-1,2-dihydro-4-hydroxy-1-methyl-2-oxo-quinoline-3-carboxamide,1,2-dihydro-4-hydroxy-n,1-dimethyl-2-oxo-3-quinolinecarboxanilide,4-hydroxy-n,1-dimethyl-2-oxo-n-phenyl-1,2-dihydroquinoline-3-carboxamide |
| IUPAC Name | 4-hydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide |
| InChI Key | SGOOQMRIPALTEL-UHFFFAOYSA-N |
| Molecular Formula | C18H16N2O3 |
2',6'-Dimethylacetanilide, 97%
CAS: 2198-53-0 Molecular Formula: C10H13NO Molecular Weight (g/mol): 163.22 MDL Number: MFCD00008675 InChI Key: NRPTXWYBRKRZES-UHFFFAOYSA-N Synonym: n-2,6-dimethylphenyl acetamide,2',6'-dimethylacetanilide,2,6-dimethylacetanilide,2',6'-acetoxylidide,acetamide, n-2,6-dimethylphenyl,n-acetyl-2,6-xylidine,n-acetyl-2,6-dimethylaniline,acetanilide, 2',6'-dimethyl,unii-68gzi4j9fm,68gzi4j9fm PubChem CID: 16616 IUPAC Name: N-(2,6-dimethylphenyl)acetamide SMILES: CC1=C(C(=CC=C1)C)NC(=O)C
| PubChem CID | 16616 |
|---|---|
| CAS | 2198-53-0 |
| Molecular Weight (g/mol) | 163.22 |
| MDL Number | MFCD00008675 |
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)C |
| Synonym | n-2,6-dimethylphenyl acetamide,2',6'-dimethylacetanilide,2,6-dimethylacetanilide,2',6'-acetoxylidide,acetamide, n-2,6-dimethylphenyl,n-acetyl-2,6-xylidine,n-acetyl-2,6-dimethylaniline,acetanilide, 2',6'-dimethyl,unii-68gzi4j9fm,68gzi4j9fm |
| IUPAC Name | N-(2,6-dimethylphenyl)acetamide |
| InChI Key | NRPTXWYBRKRZES-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO |
m-Tolyl acetate, 97%
CAS: 111072-31-2 Molecular Formula: C22H16N7NaO13S2 Molecular Weight (g/mol): 673.52 MDL Number: MFCD00083517 InChI Key: JACYMBNQPPWQML-UHFFFAOYSA-M Synonym: xtt PubChem CID: 131668615 IUPAC Name: sodium;2-(2-methoxy-4-nitro-5-sulfonatophenyl)-3-(2-methoxy-4-nitro-5-sulfophenyl)-N-phenyltetrazol-3-ium-5-carboximidate SMILES: [Na+].COC1=C(C=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O)N1N=C(N=[N+]1C1=C(OC)C=C(C(=C1)S([O-])(=O)=O)[N+]([O-])=O)C(=O)NC1=CC=CC=C1
| PubChem CID | 131668615 |
|---|---|
| CAS | 111072-31-2 |
| Molecular Weight (g/mol) | 673.52 |
| MDL Number | MFCD00083517 |
| SMILES | [Na+].COC1=C(C=C(C(=C1)[N+]([O-])=O)S([O-])(=O)=O)N1N=C(N=[N+]1C1=C(OC)C=C(C(=C1)S([O-])(=O)=O)[N+]([O-])=O)C(=O)NC1=CC=CC=C1 |
| Synonym | xtt |
| IUPAC Name | sodium;2-(2-methoxy-4-nitro-5-sulfonatophenyl)-3-(2-methoxy-4-nitro-5-sulfophenyl)-N-phenyltetrazol-3-ium-5-carboximidate |
| InChI Key | JACYMBNQPPWQML-UHFFFAOYSA-M |
| Molecular Formula | C22H16N7NaO13S2 |
N,N'-p-Phenylenebisacetamide, 98%
CAS: 140-50-1 Molecular Formula: C10H12N2O2 Molecular Weight (g/mol): 192.218 MDL Number: MFCD00026142 InChI Key: KVEDKKLZCJBVNP-UHFFFAOYSA-N Synonym: 1,4-diacetamidobenzene,n,n'-diacetyl-1,4-phenylenediamine,n,n'-p-phenylenebisacetamide,p-phenylenediacetamide,n,n'-diacetyl-p-phenylenediamine,4'-acetamidoacetanilide,1,4-bisacetamidobenzene,acetamide, n,n'-1,4-phenylenebis,n-4-acetamidophenyl acetamide,n,n'-p-phenylene di acetamide PubChem CID: 67324 IUPAC Name: N-(4-acetamidophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)NC(=O)C
| PubChem CID | 67324 |
|---|---|
| CAS | 140-50-1 |
| Molecular Weight (g/mol) | 192.218 |
| MDL Number | MFCD00026142 |
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)C |
| Synonym | 1,4-diacetamidobenzene,n,n'-diacetyl-1,4-phenylenediamine,n,n'-p-phenylenebisacetamide,p-phenylenediacetamide,n,n'-diacetyl-p-phenylenediamine,4'-acetamidoacetanilide,1,4-bisacetamidobenzene,acetamide, n,n'-1,4-phenylenebis,n-4-acetamidophenyl acetamide,n,n'-p-phenylene di acetamide |
| IUPAC Name | N-(4-acetamidophenyl)acetamide |
| InChI Key | KVEDKKLZCJBVNP-UHFFFAOYSA-N |
| Molecular Formula | C10H12N2O2 |
4'-Nitroacetanilide, 99%
CAS: 104-04-1 Molecular Formula: C8H8N2O3 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00007303 InChI Key: NQRLPDFELNCFHW-UHFFFAOYSA-N Synonym: 4'-nitroacetanilide,n-4-nitrophenyl acetamide,4-nitroacetanilide,p-nitroacetanilide,acetamide, n-4-nitrophenyl,n-acetyl-4-nitroaniline,p-acetamidonitrobenzene,acetanilide, p-nitro,p-nitrophenylacetanilide,n-acetyl-p-nitroaniline PubChem CID: 7691 IUPAC Name: N-(4-nitrophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
| PubChem CID | 7691 |
|---|---|
| CAS | 104-04-1 |
| Molecular Weight (g/mol) | 180.16 |
| MDL Number | MFCD00007303 |
| SMILES | CC(=O)NC1=CC=C(C=C1)[N+](=O)[O-] |
| Synonym | 4'-nitroacetanilide,n-4-nitrophenyl acetamide,4-nitroacetanilide,p-nitroacetanilide,acetamide, n-4-nitrophenyl,n-acetyl-4-nitroaniline,p-acetamidonitrobenzene,acetanilide, p-nitro,p-nitrophenylacetanilide,n-acetyl-p-nitroaniline |
| IUPAC Name | N-(4-nitrophenyl)acetamide |
| InChI Key | NQRLPDFELNCFHW-UHFFFAOYSA-N |
| Molecular Formula | C8H8N2O3 |
Acetone, Electronic/Cleanroom Grade, 99.5%, Spectrum™ Chemical
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CAS: 67-64-1 Molecular Formula: C3H6O Molecular Weight (g/mol): 58.08 MDL Number: MFCD00008765 InChI Key: CSCPPACGZOOCGX-UHFFFAOYSA-N IUPAC Name: propan-2-one SMILES: CC(C)=O
| CAS | 67-64-1 |
|---|---|
| Molecular Weight (g/mol) | 58.08 |
| MDL Number | MFCD00008765 |
| SMILES | CC(C)=O |
| IUPAC Name | propan-2-one |
| InChI Key | CSCPPACGZOOCGX-UHFFFAOYSA-N |
| Molecular Formula | C3H6O |