Benzene and substituted derivatives
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4-Chloro-3,5-dinitrobenzoic Acid 98.0+%, TCI America™
CAS: 118-97-8 Molecular Formula: C7H3ClN2O6 Molecular Weight (g/mol): 246.559 MDL Number: MFCD00007080 InChI Key: PCTFIHOVQYYAMH-UHFFFAOYSA-N Synonym: 4-chloro-3,5-dinitrobenzoic acid,3,5-dinitro-4-chlorobenzoic acid,benzoic acid, 4-chloro-3,5-dinitro,4-chloro-3,5-dinitrobenzoate,4-chloro-3,5-dinitro-benzoic acid,benzoicacid, 4-chloro-3,5-dinitro,pubchem22980,acmc-1bt9j,ksc180k5t,timtec-bb sbb003176 PubChem CID: 8377 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O
| PubChem CID | 8377 |
|---|---|
| CAS | 118-97-8 |
| Molecular Weight (g/mol) | 246.559 |
| MDL Number | MFCD00007080 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(=O)O |
| Synonym | 4-chloro-3,5-dinitrobenzoic acid,3,5-dinitro-4-chlorobenzoic acid,benzoic acid, 4-chloro-3,5-dinitro,4-chloro-3,5-dinitrobenzoate,4-chloro-3,5-dinitro-benzoic acid,benzoicacid, 4-chloro-3,5-dinitro,pubchem22980,acmc-1bt9j,ksc180k5t,timtec-bb sbb003176 |
| InChI Key | PCTFIHOVQYYAMH-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClN2O6 |
3-Chloro-2-fluorobenzoic Acid 97.0+%, TCI America™
CAS: 161957-55-7 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.555 MDL Number: MFCD00042506 InChI Key: FCSSYEWURMTUSM-UHFFFAOYSA-N Synonym: 2-fluoro-3-chlorobenzoic acid,3-chloro-2-fluoro benzoic acid,3-chloro-2-fluoro-benzoic acid,3-chloro-2-fluorobenzoicacid,3-chloro-2-fluorbenzoic acid,pubchem1332,acmc-209dnj,intermediates-zcf02219,benzoic acid, chlorofluoro,ksc112c3l PubChem CID: 302931 IUPAC Name: 3-chloro-2-fluorobenzoic acid SMILES: C1=CC(=C(C(=C1)Cl)F)C(=O)O
| PubChem CID | 302931 |
|---|---|
| CAS | 161957-55-7 |
| Molecular Weight (g/mol) | 174.555 |
| MDL Number | MFCD00042506 |
| SMILES | C1=CC(=C(C(=C1)Cl)F)C(=O)O |
| Synonym | 2-fluoro-3-chlorobenzoic acid,3-chloro-2-fluoro benzoic acid,3-chloro-2-fluoro-benzoic acid,3-chloro-2-fluorobenzoicacid,3-chloro-2-fluorbenzoic acid,pubchem1332,acmc-209dnj,intermediates-zcf02219,benzoic acid, chlorofluoro,ksc112c3l |
| IUPAC Name | 3-chloro-2-fluorobenzoic acid |
| InChI Key | FCSSYEWURMTUSM-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO2 |
2-Chloro-3-fluorobenzoic Acid 97.0+%, TCI America™
CAS: 102940-86-3 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.555 MDL Number: MFCD00973903 InChI Key: WJYAYXKXZNITAZ-UHFFFAOYSA-N Synonym: 2-chloro-3-fluorobenzoicacid,2-chloro-3-fluoro-benzoic acid,benzoic acid, 2-chloro-3-fluoro,pubchem1369,ksc493s0f,buttpark 19\01-64,2-chloranyl-3-fluoranyl-benzoic acid PubChem CID: 302620 IUPAC Name: 2-chloro-3-fluorobenzoic acid SMILES: C1=CC(=C(C(=C1)F)Cl)C(=O)O
| PubChem CID | 302620 |
|---|---|
| CAS | 102940-86-3 |
| Molecular Weight (g/mol) | 174.555 |
| MDL Number | MFCD00973903 |
| SMILES | C1=CC(=C(C(=C1)F)Cl)C(=O)O |
| Synonym | 2-chloro-3-fluorobenzoicacid,2-chloro-3-fluoro-benzoic acid,benzoic acid, 2-chloro-3-fluoro,pubchem1369,ksc493s0f,buttpark 19\01-64,2-chloranyl-3-fluoranyl-benzoic acid |
| IUPAC Name | 2-chloro-3-fluorobenzoic acid |
| InChI Key | WJYAYXKXZNITAZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO2 |
2-Bromobenzyl Mercaptan 98.0+%, TCI America™
CAS: 143888-85-1 Molecular Formula: C7H7BrS Molecular Weight (g/mol): 203.10 MDL Number: MFCD04038925 InChI Key: UJNSDLRPHRMVGZ-UHFFFAOYSA-N Synonym: 2-bromobenzyl mercaptan,2-bromobenzylmercaptan,2-bromophenyl methanethiol,o-bromobenzyl hydrosulfide,2-bromobenzylthiol,2-bromophenyl methane-1-thiol,2-bromobenzyl,2-bromobenzyl mercap,pubchem6847 PubChem CID: 2773673 IUPAC Name: (2-bromophenyl)methanethiol SMILES: SCC1=CC=CC=C1Br
| PubChem CID | 2773673 |
|---|---|
| CAS | 143888-85-1 |
| Molecular Weight (g/mol) | 203.10 |
| MDL Number | MFCD04038925 |
| SMILES | SCC1=CC=CC=C1Br |
| Synonym | 2-bromobenzyl mercaptan,2-bromobenzylmercaptan,2-bromophenyl methanethiol,o-bromobenzyl hydrosulfide,2-bromobenzylthiol,2-bromophenyl methane-1-thiol,2-bromobenzyl,2-bromobenzyl mercap,pubchem6847 |
| IUPAC Name | (2-bromophenyl)methanethiol |
| InChI Key | UJNSDLRPHRMVGZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrS |
2-Bromobenzohydrazide 98.0+%, TCI America™
CAS: 29418-67-5 Molecular Formula: C7H7BrN2O Molecular Weight (g/mol): 215.05 MDL Number: MFCD00051577 InChI Key: PQNLAYLOCZKPIY-UHFFFAOYSA-N Synonym: 2-bromobenzhydrazide,2-bromobenzoic hydrazide,benzoylhydrazine, o-bromo,2-bromobenzoyl hydrazine,2-bromo-benzoic acid hydrazide,2-bromobenzenecarbohydrazide,2-bromobenzoic acid hydrazide,bromobenzhydrazide,pubchem3742,2-bromobenzoylhydrazine PubChem CID: 101460 IUPAC Name: 2-bromobenzohydrazide SMILES: NNC(=O)C1=CC=CC=C1Br
| PubChem CID | 101460 |
|---|---|
| CAS | 29418-67-5 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD00051577 |
| SMILES | NNC(=O)C1=CC=CC=C1Br |
| Synonym | 2-bromobenzhydrazide,2-bromobenzoic hydrazide,benzoylhydrazine, o-bromo,2-bromobenzoyl hydrazine,2-bromo-benzoic acid hydrazide,2-bromobenzenecarbohydrazide,2-bromobenzoic acid hydrazide,bromobenzhydrazide,pubchem3742,2-bromobenzoylhydrazine |
| IUPAC Name | 2-bromobenzohydrazide |
| InChI Key | PQNLAYLOCZKPIY-UHFFFAOYSA-N |
| Molecular Formula | C7H7BrN2O |
Bambuterol Hydrochloride 96.0+%, TCI America™
CAS: 81732-46-9 Molecular Formula: C18H30ClN3O5 Molecular Weight (g/mol): 403.90 MDL Number: MFCD03427293 InChI Key: LBARATORRVNNQM-UHFFFAOYNA-N Synonym: bambuterol hydrochloride,bambuterol hcl,bambec tn,dimethylcarbmic acid 5-2-1,1-dimethylethyl amino-1-hydroxyethyl-1,3-phenylene ester,dsstox_cid_25515,dsstox_rid_80925,dsstox_gsid_45515,prestwick_777,bambuterolhydrochloride PubChem CID: 54765 ChEBI: CHEBI:59167 IUPAC Name: hydrogen 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(dimethylcarbamoyl)oxy]phenyl N,N-dimethylcarbamate chloride SMILES: [H+].[Cl-].CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C
| PubChem CID | 54765 |
|---|---|
| CAS | 81732-46-9 |
| Molecular Weight (g/mol) | 403.90 |
| ChEBI | CHEBI:59167 |
| MDL Number | MFCD03427293 |
| SMILES | [H+].[Cl-].CN(C)C(=O)OC1=CC(=CC(OC(=O)N(C)C)=C1)C(O)CNC(C)(C)C |
| Synonym | bambuterol hydrochloride,bambuterol hcl,bambec tn,dimethylcarbmic acid 5-2-1,1-dimethylethyl amino-1-hydroxyethyl-1,3-phenylene ester,dsstox_cid_25515,dsstox_rid_80925,dsstox_gsid_45515,prestwick_777,bambuterolhydrochloride |
| IUPAC Name | hydrogen 3-[2-(tert-butylamino)-1-hydroxyethyl]-5-[(dimethylcarbamoyl)oxy]phenyl N,N-dimethylcarbamate chloride |
| InChI Key | LBARATORRVNNQM-UHFFFAOYNA-N |
| Molecular Formula | C18H30ClN3O5 |
3-Bromo-2,6-dimethoxytoluene 97.0+%, TCI America™
CAS: 22794-95-2 Molecular Formula: C9H11BrO2 Molecular Weight (g/mol): 231.089 InChI Key: WXHZGDILTIFQDK-UHFFFAOYSA-N Synonym: 1-Bromo-2,4-dimethoxy-3-methylbenzene PubChem CID: 10889743 IUPAC Name: 1-bromo-2,4-dimethoxy-3-methylbenzene SMILES: CC1=C(C=CC(=C1OC)Br)OC
| PubChem CID | 10889743 |
|---|---|
| CAS | 22794-95-2 |
| Molecular Weight (g/mol) | 231.089 |
| SMILES | CC1=C(C=CC(=C1OC)Br)OC |
| Synonym | 1-Bromo-2,4-dimethoxy-3-methylbenzene |
| IUPAC Name | 1-bromo-2,4-dimethoxy-3-methylbenzene |
| InChI Key | WXHZGDILTIFQDK-UHFFFAOYSA-N |
| Molecular Formula | C9H11BrO2 |
5-Chloro-2-nitrotoluene 97.0+%, TCI America™
CAS: 5367-28-2 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00024579 InChI Key: NSMZCUAVEOTJDS-UHFFFAOYSA-N Synonym: 5-chloro-2-nitrotoluene,toluene, 5-chloro-2-nitro,3-chloro-6-nitrotoluene,benzene, 4-chloro-2-methyl-1-nitro,2-nitro-5-chlorotoluene,benzene, 1-chloro-3-methyl-4-nitro-9ci,4-chloro-2-methyl-1-nitro-benzene,acmc-1am5r,5-chloro-2-nitro-toluene,ksc494a7d PubChem CID: 79329 IUPAC Name: 4-chloro-2-methyl-1-nitrobenzene SMILES: CC1=C(C=CC(=C1)Cl)[N+](=O)[O-]
| PubChem CID | 79329 |
|---|---|
| CAS | 5367-28-2 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00024579 |
| SMILES | CC1=C(C=CC(=C1)Cl)[N+](=O)[O-] |
| Synonym | 5-chloro-2-nitrotoluene,toluene, 5-chloro-2-nitro,3-chloro-6-nitrotoluene,benzene, 4-chloro-2-methyl-1-nitro,2-nitro-5-chlorotoluene,benzene, 1-chloro-3-methyl-4-nitro-9ci,4-chloro-2-methyl-1-nitro-benzene,acmc-1am5r,5-chloro-2-nitro-toluene,ksc494a7d |
| IUPAC Name | 4-chloro-2-methyl-1-nitrobenzene |
| InChI Key | NSMZCUAVEOTJDS-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
2-Chloro-5-iodobenzoic Acid 97.0+%, TCI America™
CAS: 19094-56-5 Molecular Formula: C7H4ClIO2 Molecular Weight (g/mol): 282.46 MDL Number: MFCD00079731 InChI Key: GEBYSTBEDVQOTK-UHFFFAOYSA-N Synonym: 2-chloro-5-iodo-benzoic acid,benzoic acid, 2-chloro-5-iodo,pubchem3649,acmc-209eug,5-iodo-2-chlorobenzoic acid,ksc174i1h,benzoicacid, 2-chloro-5-iodo,buttpark 100\01-43,2-chloro-5-iodobenzoic acid PubChem CID: 519638 IUPAC Name: 2-chloro-5-iodobenzoic acid SMILES: OC(=O)C1=C(Cl)C=CC(I)=C1
| PubChem CID | 519638 |
|---|---|
| CAS | 19094-56-5 |
| Molecular Weight (g/mol) | 282.46 |
| MDL Number | MFCD00079731 |
| SMILES | OC(=O)C1=C(Cl)C=CC(I)=C1 |
| Synonym | 2-chloro-5-iodo-benzoic acid,benzoic acid, 2-chloro-5-iodo,pubchem3649,acmc-209eug,5-iodo-2-chlorobenzoic acid,ksc174i1h,benzoicacid, 2-chloro-5-iodo,buttpark 100\01-43,2-chloro-5-iodobenzoic acid |
| IUPAC Name | 2-chloro-5-iodobenzoic acid |
| InChI Key | GEBYSTBEDVQOTK-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClIO2 |
4-Chloro-2-iodobenzoic Acid 98.0+%, TCI America™
CAS: 13421-13-1 Molecular Formula: C7H4ClIO2 Molecular Weight (g/mol): 282.46 MDL Number: MFCD00060676 InChI Key: LRRDANNSUCQNDU-UHFFFAOYSA-N Synonym: 4-chloro-2-iodobenzoicacid,2-iodo-4-chlorobenzoic acid,4-chloro-2-iodo-benzoic acid,benzoic acid, 4-chloro-2-iodo,buttpark 100\07-49,pubchem4018,acmc-209bu6,ksc519a3p,benzoic acid,4-chloro-2-iodo,4-chloro-2-iodobenzoic acid PubChem CID: 139452 IUPAC Name: 4-chloro-2-iodobenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C=C1I
| PubChem CID | 139452 |
|---|---|
| CAS | 13421-13-1 |
| Molecular Weight (g/mol) | 282.46 |
| MDL Number | MFCD00060676 |
| SMILES | OC(=O)C1=CC=C(Cl)C=C1I |
| Synonym | 4-chloro-2-iodobenzoicacid,2-iodo-4-chlorobenzoic acid,4-chloro-2-iodo-benzoic acid,benzoic acid, 4-chloro-2-iodo,buttpark 100\07-49,pubchem4018,acmc-209bu6,ksc519a3p,benzoic acid,4-chloro-2-iodo,4-chloro-2-iodobenzoic acid |
| IUPAC Name | 4-chloro-2-iodobenzoic acid |
| InChI Key | LRRDANNSUCQNDU-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClIO2 |
4-Bromo-1-chloro-2-nitrobenzene 98.0+%, TCI America™
CAS: 16588-24-2 Molecular Formula: C6H3BrClNO2 Molecular Weight (g/mol): 236.45 MDL Number: MFCD05863216 InChI Key: DJRYWPGOQTUJMQ-UHFFFAOYSA-N Synonym: 5-Bromo-2-chloronitrobenzene PubChem CID: 817974 IUPAC Name: 4-bromo-1-chloro-2-nitrobenzene SMILES: [O-][N+](=O)C1=C(Cl)C=CC(Br)=C1
| PubChem CID | 817974 |
|---|---|
| CAS | 16588-24-2 |
| Molecular Weight (g/mol) | 236.45 |
| MDL Number | MFCD05863216 |
| SMILES | [O-][N+](=O)C1=C(Cl)C=CC(Br)=C1 |
| Synonym | 5-Bromo-2-chloronitrobenzene |
| IUPAC Name | 4-bromo-1-chloro-2-nitrobenzene |
| InChI Key | DJRYWPGOQTUJMQ-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrClNO2 |
4-Bromo-5'-phenyl-1,1':3',1″-terphenyl 98.0+%, TCI America™
CAS: 116941-52-7 Molecular Formula: C24H17Br Molecular Weight (g/mol): 385.304 MDL Number: MFCD26407506 InChI Key: SIAJAYFLPBYCOF-UHFFFAOYSA-N PubChem CID: 14022731 IUPAC Name: 1-(4-bromophenyl)-3,5-diphenylbenzene SMILES: C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=CC=C4
| PubChem CID | 14022731 |
|---|---|
| CAS | 116941-52-7 |
| Molecular Weight (g/mol) | 385.304 |
| MDL Number | MFCD26407506 |
| SMILES | C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC=C(C=C3)Br)C4=CC=CC=C4 |
| IUPAC Name | 1-(4-bromophenyl)-3,5-diphenylbenzene |
| InChI Key | SIAJAYFLPBYCOF-UHFFFAOYSA-N |
| Molecular Formula | C24H17Br |
4-Bromo-4'-methylbiphenyl 98.0+%, TCI America™
CAS: 50670-49-0 Molecular Formula: C13H11Br Molecular Weight (g/mol): 247.14 MDL Number: MFCD00466236 InChI Key: MYWLXURJCXISCT-UHFFFAOYSA-N Synonym: 4-bromo-4'-methylbiphenyl,4-bromo-4'-methyl-1,1'-biphenyl,1,1'-biphenyl, 4-bromo-4'-methyl,biphenyl, 4-bromo-4'-methyl,4-bromo-4'-methyl-biphenyl,1-bromo-4-4-methylphenyl benzene,1-4-bromophenyl-4-methylbenzene,4-brromo-4-methylbiphenyl,4-brom-4'-methyl-biphenyl,4'-bromo-4-methyl-biphenyl PubChem CID: 521291 IUPAC Name: 4-bromo-4'-methyl-1,1'-biphenyl SMILES: CC1=CC=C(C=C1)C1=CC=C(Br)C=C1
| PubChem CID | 521291 |
|---|---|
| CAS | 50670-49-0 |
| Molecular Weight (g/mol) | 247.14 |
| MDL Number | MFCD00466236 |
| SMILES | CC1=CC=C(C=C1)C1=CC=C(Br)C=C1 |
| Synonym | 4-bromo-4'-methylbiphenyl,4-bromo-4'-methyl-1,1'-biphenyl,1,1'-biphenyl, 4-bromo-4'-methyl,biphenyl, 4-bromo-4'-methyl,4-bromo-4'-methyl-biphenyl,1-bromo-4-4-methylphenyl benzene,1-4-bromophenyl-4-methylbenzene,4-brromo-4-methylbiphenyl,4-brom-4'-methyl-biphenyl,4'-bromo-4-methyl-biphenyl |
| IUPAC Name | 4-bromo-4'-methyl-1,1'-biphenyl |
| InChI Key | MYWLXURJCXISCT-UHFFFAOYSA-N |
| Molecular Formula | C13H11Br |
Butoconazole Nitrate 98.0+%, TCI America™
CAS: 64872-77-1 Molecular Formula: C19H18Cl3N3O3S Molecular Weight (g/mol): 474.781 MDL Number: MFCD00058159 InChI Key: ZHPWRQIPPNZNML-UHFFFAOYSA-N Synonym: 1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]imidazole Nitrate PubChem CID: 47471 ChEBI: CHEBI:3241 IUPAC Name: 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid SMILES: C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-]
| PubChem CID | 47471 |
|---|---|
| CAS | 64872-77-1 |
| Molecular Weight (g/mol) | 474.781 |
| ChEBI | CHEBI:3241 |
| MDL Number | MFCD00058159 |
| SMILES | C1=CC(=C(C(=C1)Cl)SC(CCC2=CC=C(C=C2)Cl)CN3C=CN=C3)Cl.[N+](=O)(O)[O-] |
| Synonym | 1-[4-(4-Chlorophenyl)-2-[(2,6-dichlorophenyl)thio]butyl]imidazole Nitrate |
| IUPAC Name | 1-[4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)sulfanylbutyl]imidazole;nitric acid |
| InChI Key | ZHPWRQIPPNZNML-UHFFFAOYSA-N |
| Molecular Formula | C19H18Cl3N3O3S |