Benzene and substituted derivatives
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4-Acetamidobenzenesulfonamide 98.0+%, TCI America™
CAS: 121-61-9 Molecular Formula: C8H10N2O3S Molecular Weight (g/mol): 214.239 MDL Number: MFCD00035784 InChI Key: PKOFBDHYTMYVGJ-UHFFFAOYSA-N Synonym: N4-Acetylsulfanilamide PubChem CID: 8482 IUPAC Name: N-(4-sulfamoylphenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N
| PubChem CID | 8482 |
|---|---|
| CAS | 121-61-9 |
| Molecular Weight (g/mol) | 214.239 |
| MDL Number | MFCD00035784 |
| SMILES | CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N |
| Synonym | N4-Acetylsulfanilamide |
| IUPAC Name | N-(4-sulfamoylphenyl)acetamide |
| InChI Key | PKOFBDHYTMYVGJ-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O3S |
4-Hydroxybenzenesulfonamide 97.0+%, TCI America™
CAS: 1576-43-8 Molecular Formula: C6H7NO3S Molecular Weight (g/mol): 173.186 MDL Number: MFCD00059190 InChI Key: DIRCLGLKRZLKHG-UHFFFAOYSA-N Synonym: p-hydroxybenzenesulfonamide,p-phenolsulfonamide,benzenesulfonamide, 4-hydroxy,4-sulfamoylphenol,benzenesulfonamide, p-hydroxy,4-hydroxyphenylsulfonamide,unii-1iit7r7vpj,p-hydroxybenzenesulphonamide,4-hydroxybenzenesulphonamide,4-hydroxybenzene-1-sulfonamide PubChem CID: 74093 IUPAC Name: 4-hydroxybenzenesulfonamide SMILES: C1=CC(=CC=C1O)S(=O)(=O)N
| PubChem CID | 74093 |
|---|---|
| CAS | 1576-43-8 |
| Molecular Weight (g/mol) | 173.186 |
| MDL Number | MFCD00059190 |
| SMILES | C1=CC(=CC=C1O)S(=O)(=O)N |
| Synonym | p-hydroxybenzenesulfonamide,p-phenolsulfonamide,benzenesulfonamide, 4-hydroxy,4-sulfamoylphenol,benzenesulfonamide, p-hydroxy,4-hydroxyphenylsulfonamide,unii-1iit7r7vpj,p-hydroxybenzenesulphonamide,4-hydroxybenzenesulphonamide,4-hydroxybenzene-1-sulfonamide |
| IUPAC Name | 4-hydroxybenzenesulfonamide |
| InChI Key | DIRCLGLKRZLKHG-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO3S |
Sulfamethazine Sodium Salt 97.0+%, TCI America™
CAS: 1981-58-4 Molecular Formula: C12H13N4NaO2S Molecular Weight (g/mol): 300.312 MDL Number: MFCD00068333 InChI Key: NGIVTUVVBWOTNT-UHFFFAOYSA-N Synonym: sulfamethazine sodium salt,sulfamethazine sodium,sulfadimidine sodium,sodium sulfamethazine,sodium sulfametazine,sodium sulfamethamide,sodium sulfamezathine,bovibol,vesadin,sodium sulfamethiazine PubChem CID: 13456556 IUPAC Name: sodium;(4-aminophenyl)sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide SMILES: CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)N)C.[Na+]
| PubChem CID | 13456556 |
|---|---|
| CAS | 1981-58-4 |
| Molecular Weight (g/mol) | 300.312 |
| MDL Number | MFCD00068333 |
| SMILES | CC1=CC(=NC(=N1)[N-]S(=O)(=O)C2=CC=C(C=C2)N)C.[Na+] |
| Synonym | sulfamethazine sodium salt,sulfamethazine sodium,sulfadimidine sodium,sodium sulfamethazine,sodium sulfametazine,sodium sulfamethamide,sodium sulfamezathine,bovibol,vesadin,sodium sulfamethiazine |
| IUPAC Name | sodium;(4-aminophenyl)sulfonyl-(4,6-dimethylpyrimidin-2-yl)azanide |
| InChI Key | NGIVTUVVBWOTNT-UHFFFAOYSA-N |
| Molecular Formula | C12H13N4NaO2S |
(4-Chlorophenylsulfonyl)urea 97.0+%, TCI America™
CAS: 22663-37-2 Molecular Formula: C7H7ClN2O3S Molecular Weight (g/mol): 234.654 MDL Number: MFCD00518656 InChI Key: AZEPYUPSYWCRBG-UHFFFAOYSA-N Synonym: 4-chlorobenzenesulfonylurea,4-chlorophenylsulfonyl urea,1-4-chlorobenzenesulfonyl urea,4-chlorobenzenesulfonyl urea,n-carbamoyl-4-chlorobenzenesulfonamide,p-chlorobenzenesulfonyl urea,p-chlorobenzene sulfonyl urea,n-aminocarbonyl-4-chlorobenzenesulphonamide,benzenesulfonamide, n-aminocarbonyl-4-chloro,amino-n-4-chlorophenyl sulfonyl amide PubChem CID: 89785 IUPAC Name: (4-chlorophenyl)sulfonylurea SMILES: C1=CC(=CC=C1S(=O)(=O)NC(=O)N)Cl
| PubChem CID | 89785 |
|---|---|
| CAS | 22663-37-2 |
| Molecular Weight (g/mol) | 234.654 |
| MDL Number | MFCD00518656 |
| SMILES | C1=CC(=CC=C1S(=O)(=O)NC(=O)N)Cl |
| Synonym | 4-chlorobenzenesulfonylurea,4-chlorophenylsulfonyl urea,1-4-chlorobenzenesulfonyl urea,4-chlorobenzenesulfonyl urea,n-carbamoyl-4-chlorobenzenesulfonamide,p-chlorobenzenesulfonyl urea,p-chlorobenzene sulfonyl urea,n-aminocarbonyl-4-chlorobenzenesulphonamide,benzenesulfonamide, n-aminocarbonyl-4-chloro,amino-n-4-chlorophenyl sulfonyl amide |
| IUPAC Name | (4-chlorophenyl)sulfonylurea |
| InChI Key | AZEPYUPSYWCRBG-UHFFFAOYSA-N |
| Molecular Formula | C7H7ClN2O3S |
Ketoprofen 98.0+%, TCI America™
CAS: 22071-15-4 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.285 MDL Number: MFCD00055790 InChI Key: DKYWVDODHFEZIM-UHFFFAOYSA-N Synonym: ketoprofen,2-3-benzoylphenyl propanoic acid,orudis,m-benzoylhydratropic acid,2-3-benzoylphenyl propionic acid,ketoprofene,profenid,oruvail,3-benzoylhydratropic acid,alrheumat PubChem CID: 3825 ChEBI: CHEBI:6128 IUPAC Name: 2-(3-benzoylphenyl)propanoic acid SMILES: CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O
| PubChem CID | 3825 |
|---|---|
| CAS | 22071-15-4 |
| Molecular Weight (g/mol) | 254.285 |
| ChEBI | CHEBI:6128 |
| MDL Number | MFCD00055790 |
| SMILES | CC(C1=CC=CC(=C1)C(=O)C2=CC=CC=C2)C(=O)O |
| Synonym | ketoprofen,2-3-benzoylphenyl propanoic acid,orudis,m-benzoylhydratropic acid,2-3-benzoylphenyl propionic acid,ketoprofene,profenid,oruvail,3-benzoylhydratropic acid,alrheumat |
| IUPAC Name | 2-(3-benzoylphenyl)propanoic acid |
| InChI Key | DKYWVDODHFEZIM-UHFFFAOYSA-N |
| Molecular Formula | C16H14O3 |
3,4,5-Trimethoxytoluene 98.0+%, TCI America™
CAS: 6443-69-2 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.219 MDL Number: MFCD00008397 InChI Key: KCIZTNZGSBSSRM-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxytoluene,benzene, 1,2,3-trimethoxy-5-methyl,5-methylpyrogallol trimethyl ether,1,2,3-trimethoxy-5-methyl-benzene,toluene, 3,4,5-trimethoxy,1,2,3-trimethoxy-5-methylbenzol,pubchem13665,acmc-209nm4,3,4,5-trimethoxy-toluene,3,4,5-trimethoxy toluene PubChem CID: 80922 ChEBI: CHEBI:81354 IUPAC Name: 1,2,3-trimethoxy-5-methylbenzene SMILES: CC1=CC(=C(C(=C1)OC)OC)OC
| PubChem CID | 80922 |
|---|---|
| CAS | 6443-69-2 |
| Molecular Weight (g/mol) | 182.219 |
| ChEBI | CHEBI:81354 |
| MDL Number | MFCD00008397 |
| SMILES | CC1=CC(=C(C(=C1)OC)OC)OC |
| Synonym | 3,4,5-trimethoxytoluene,benzene, 1,2,3-trimethoxy-5-methyl,5-methylpyrogallol trimethyl ether,1,2,3-trimethoxy-5-methyl-benzene,toluene, 3,4,5-trimethoxy,1,2,3-trimethoxy-5-methylbenzol,pubchem13665,acmc-209nm4,3,4,5-trimethoxy-toluene,3,4,5-trimethoxy toluene |
| IUPAC Name | 1,2,3-trimethoxy-5-methylbenzene |
| InChI Key | KCIZTNZGSBSSRM-UHFFFAOYSA-N |
| Molecular Formula | C10H14O3 |
4-(Trifluoromethoxy)anisole 97.0+%, TCI America™
CAS: 710-18-9 Molecular Formula: C8H7F3O2 Molecular Weight (g/mol): 192.137 MDL Number: MFCD00216942 InChI Key: NOAFZIOGGDPYKK-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy anisole,1-methoxy-4-trifluoromethoxy benzene,p-trifluoromethoxy anisole,4-trifluoromethoxyanisole,benzene, 1-methoxy-4-trifluoromethoxy,4-methoxy trifluoromethoxy benzene,hydroquinone methyl trifluoromethyl ether,trifluoro 4-methoxyphenoxy methane,pubchem3570,acmc-1bcz3 PubChem CID: 2724973 IUPAC Name: 1-methoxy-4-(trifluoromethoxy)benzene SMILES: COC1=CC=C(C=C1)OC(F)(F)F
| PubChem CID | 2724973 |
|---|---|
| CAS | 710-18-9 |
| Molecular Weight (g/mol) | 192.137 |
| MDL Number | MFCD00216942 |
| SMILES | COC1=CC=C(C=C1)OC(F)(F)F |
| Synonym | 4-trifluoromethoxy anisole,1-methoxy-4-trifluoromethoxy benzene,p-trifluoromethoxy anisole,4-trifluoromethoxyanisole,benzene, 1-methoxy-4-trifluoromethoxy,4-methoxy trifluoromethoxy benzene,hydroquinone methyl trifluoromethyl ether,trifluoro 4-methoxyphenoxy methane,pubchem3570,acmc-1bcz3 |
| IUPAC Name | 1-methoxy-4-(trifluoromethoxy)benzene |
| InChI Key | NOAFZIOGGDPYKK-UHFFFAOYSA-N |
| Molecular Formula | C8H7F3O2 |
3-Bromo-4-methoxyphenylacetic Acid 98.0+%, TCI America™
CAS: 774-81-2 Molecular Formula: C9H9BrO3 Molecular Weight (g/mol): 245.072 MDL Number: MFCD00017538 InChI Key: POTVGQUUEQTPNA-UHFFFAOYSA-N PubChem CID: 136615 IUPAC Name: 2-(3-bromo-4-methoxyphenyl)acetic acid SMILES: COC1=C(C=C(C=C1)CC(=O)O)Br
| PubChem CID | 136615 |
|---|---|
| CAS | 774-81-2 |
| Molecular Weight (g/mol) | 245.072 |
| MDL Number | MFCD00017538 |
| SMILES | COC1=C(C=C(C=C1)CC(=O)O)Br |
| IUPAC Name | 2-(3-bromo-4-methoxyphenyl)acetic acid |
| InChI Key | POTVGQUUEQTPNA-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO3 |
3-Methoxybenzonitrile 95.0+%, TCI America™
CAS: 1527-89-5 Molecular Formula: C8H7NO Molecular Weight (g/mol): 133.15 MDL Number: MFCD00001801 InChI Key: KLXSUMLEPNAZFK-UHFFFAOYSA-N Synonym: m-cyanoanisole,benzonitrile, 3-methoxy,m-anisonitrile,m-methoxybenzonitrile,3-cyanoanisole,3-anisonitrile,benzonitrile, m-methoxy,3-methoxy-benzonitrile,3-methoxy benzonitrile,m-methoxybenzontrile PubChem CID: 73712 IUPAC Name: 3-methoxybenzonitrile SMILES: COC1=CC=CC(=C1)C#N
| PubChem CID | 73712 |
|---|---|
| CAS | 1527-89-5 |
| Molecular Weight (g/mol) | 133.15 |
| MDL Number | MFCD00001801 |
| SMILES | COC1=CC=CC(=C1)C#N |
| Synonym | m-cyanoanisole,benzonitrile, 3-methoxy,m-anisonitrile,m-methoxybenzonitrile,3-cyanoanisole,3-anisonitrile,benzonitrile, m-methoxy,3-methoxy-benzonitrile,3-methoxy benzonitrile,m-methoxybenzontrile |
| IUPAC Name | 3-methoxybenzonitrile |
| InChI Key | KLXSUMLEPNAZFK-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO |
1,2,3-Trimethoxybenzene 99.0+%, TCI America™
CAS: 634-36-6 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.192 MDL Number: MFCD00008358 InChI Key: CRUILBNAQILVHZ-UHFFFAOYSA-N Synonym: methylsyringol,pyrogallol trimethyl ether,trimethoxybenzene,benzene, 1,2,3-trimethoxy,tri-o-methylpyrogallol,benzene, trimethoxy,unii-mre1o894fg,1,2,3-trimethoxy benzene,mre1o894fg,3,4,5-trimethoxybenzene PubChem CID: 12462 ChEBI: CHEBI:86529 IUPAC Name: 1,2,3-trimethoxybenzene SMILES: COC1=C(C(=CC=C1)OC)OC
| PubChem CID | 12462 |
|---|---|
| CAS | 634-36-6 |
| Molecular Weight (g/mol) | 168.192 |
| ChEBI | CHEBI:86529 |
| MDL Number | MFCD00008358 |
| SMILES | COC1=C(C(=CC=C1)OC)OC |
| Synonym | methylsyringol,pyrogallol trimethyl ether,trimethoxybenzene,benzene, 1,2,3-trimethoxy,tri-o-methylpyrogallol,benzene, trimethoxy,unii-mre1o894fg,1,2,3-trimethoxy benzene,mre1o894fg,3,4,5-trimethoxybenzene |
| IUPAC Name | 1,2,3-trimethoxybenzene |
| InChI Key | CRUILBNAQILVHZ-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
1-(4-Methoxyphenoxy)-2-propanol 98.0+%, TCI America™
CAS: 42900-54-9 Molecular Formula: C10H14O3 Molecular Weight (g/mol): 182.22 MDL Number: MFCD00191541 InChI Key: VRJJZESAMSRBTH-UHFFFAOYNA-N Synonym: 4-(2-Hydroxypropoxy)anisole PubChem CID: 10749941 IUPAC Name: 1-(4-methoxyphenoxy)propan-2-ol SMILES: COC1=CC=C(OCC(C)O)C=C1
| PubChem CID | 10749941 |
|---|---|
| CAS | 42900-54-9 |
| Molecular Weight (g/mol) | 182.22 |
| MDL Number | MFCD00191541 |
| SMILES | COC1=CC=C(OCC(C)O)C=C1 |
| Synonym | 4-(2-Hydroxypropoxy)anisole |
| IUPAC Name | 1-(4-methoxyphenoxy)propan-2-ol |
| InChI Key | VRJJZESAMSRBTH-UHFFFAOYNA-N |
| Molecular Formula | C10H14O3 |
5-Bromo-1,2,3-trimethoxybenzene 98.0+%, TCI America™
CAS: 2675-79-8 Molecular Formula: C9H11BrO3 Molecular Weight (g/mol): 247.09 MDL Number: MFCD00017169 InChI Key: XAOOZMATJDXDQJ-UHFFFAOYSA-N Synonym: 1-bromo-3,4,5-trimethoxybenzene,3,4,5-trimethoxybromobenzene,bromotrimethoxybenzene,benzene, 5-bromo-1,2,3-trimethoxy,5-bromo-1,2,3-trimethoxy-benzene,pubchem10980,3,4,5-trimethoxybromoben,ksc490o1d,3,4,5-trimethoxyphenylbromide,3,4,5-triemethoxyphenylbromide PubChem CID: 75885 IUPAC Name: 5-bromo-1,2,3-trimethoxybenzene SMILES: COC1=CC(Br)=CC(OC)=C1OC
| PubChem CID | 75885 |
|---|---|
| CAS | 2675-79-8 |
| Molecular Weight (g/mol) | 247.09 |
| MDL Number | MFCD00017169 |
| SMILES | COC1=CC(Br)=CC(OC)=C1OC |
| Synonym | 1-bromo-3,4,5-trimethoxybenzene,3,4,5-trimethoxybromobenzene,bromotrimethoxybenzene,benzene, 5-bromo-1,2,3-trimethoxy,5-bromo-1,2,3-trimethoxy-benzene,pubchem10980,3,4,5-trimethoxybromoben,ksc490o1d,3,4,5-trimethoxyphenylbromide,3,4,5-triemethoxyphenylbromide |
| IUPAC Name | 5-bromo-1,2,3-trimethoxybenzene |
| InChI Key | XAOOZMATJDXDQJ-UHFFFAOYSA-N |
| Molecular Formula | C9H11BrO3 |
2-Chloro-6-methoxytoluene 96.0+%, TCI America™
CAS: 3260-88-6 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00070772 InChI Key: LTVRGAWOEOKGJZ-UHFFFAOYSA-N Synonym: 3-chloro-2-methylanisole,2-methyl-3-chloroanisole,2-chloro-6-methoxytoluene,benzene, 1-chloro-3-methoxy-2-methyl,2-methoxy-6-chlorotoluene,1-chloro-3-methoxy-2-methyl-benzene,pubchem2664,acmc-1cq3o,ltvrgawoeokgjz-uhfffaoysa PubChem CID: 76749 IUPAC Name: 1-chloro-3-methoxy-2-methylbenzene SMILES: COC1=CC=CC(Cl)=C1C
| PubChem CID | 76749 |
|---|---|
| CAS | 3260-88-6 |
| Molecular Weight (g/mol) | 156.61 |
| MDL Number | MFCD00070772 |
| SMILES | COC1=CC=CC(Cl)=C1C |
| Synonym | 3-chloro-2-methylanisole,2-methyl-3-chloroanisole,2-chloro-6-methoxytoluene,benzene, 1-chloro-3-methoxy-2-methyl,2-methoxy-6-chlorotoluene,1-chloro-3-methoxy-2-methyl-benzene,pubchem2664,acmc-1cq3o,ltvrgawoeokgjz-uhfffaoysa |
| IUPAC Name | 1-chloro-3-methoxy-2-methylbenzene |
| InChI Key | LTVRGAWOEOKGJZ-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
2-Bromo-5-fluoroanisole 95.0+%, TCI America™
CAS: 450-88-4 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.03 MDL Number: MFCD04973752 InChI Key: KGYXKRGMSUHYCY-UHFFFAOYSA-N Synonym: 2-bromo-5-fluoroanisole,benzene, 1-bromo-4-fluoro-2-methoxy,1-bromo-4-fluoro-2-methoxy-benzene,2-methoxy-4-fluorobromobenzene,buttpark 87\07-62,pubchem4091,acmc-1ct2m,ksc494a1p,bromo-4-fluoro-2-methoxybenzene PubChem CID: 7018043 IUPAC Name: 1-bromo-4-fluoro-2-methoxybenzene SMILES: COC1=CC(F)=CC=C1Br
| PubChem CID | 7018043 |
|---|---|
| CAS | 450-88-4 |
| Molecular Weight (g/mol) | 205.03 |
| MDL Number | MFCD04973752 |
| SMILES | COC1=CC(F)=CC=C1Br |
| Synonym | 2-bromo-5-fluoroanisole,benzene, 1-bromo-4-fluoro-2-methoxy,1-bromo-4-fluoro-2-methoxy-benzene,2-methoxy-4-fluorobromobenzene,buttpark 87\07-62,pubchem4091,acmc-1ct2m,ksc494a1p,bromo-4-fluoro-2-methoxybenzene |
| IUPAC Name | 1-bromo-4-fluoro-2-methoxybenzene |
| InChI Key | KGYXKRGMSUHYCY-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrFO |
N,4-Dimethoxy-N-methylbenzamide 95.0+%, TCI America™
CAS: 52898-49-4 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.218 MDL Number: MFCD02684314 InChI Key: FIRHLPVYIMMZPV-UHFFFAOYSA-N PubChem CID: 15105748 IUPAC Name: N,4-dimethoxy-N-methylbenzamide SMILES: CN(C(=O)C1=CC=C(C=C1)OC)OC
| PubChem CID | 15105748 |
|---|---|
| CAS | 52898-49-4 |
| Molecular Weight (g/mol) | 195.218 |
| MDL Number | MFCD02684314 |
| SMILES | CN(C(=O)C1=CC=C(C=C1)OC)OC |
| IUPAC Name | N,4-dimethoxy-N-methylbenzamide |
| InChI Key | FIRHLPVYIMMZPV-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO3 |