Benzene and substituted derivatives
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4-(4-Bromophenyl)dibenzothiophene 98.0+%, TCI America™
CAS: 530402-77-8 Molecular Formula: C18H11BrS Molecular Weight (g/mol): 339.25 MDL Number: MFCD19441307 InChI Key: FIAXBPCUAUSGJH-UHFFFAOYSA-N PubChem CID: 59866463 IUPAC Name: 4-(4-bromophenyl)dibenzothiophene SMILES: C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C4=CC=C(C=C4)Br
| PubChem CID | 59866463 |
|---|---|
| CAS | 530402-77-8 |
| Molecular Weight (g/mol) | 339.25 |
| MDL Number | MFCD19441307 |
| SMILES | C1=CC=C2C(=C1)C3=C(S2)C(=CC=C3)C4=CC=C(C=C4)Br |
| IUPAC Name | 4-(4-bromophenyl)dibenzothiophene |
| InChI Key | FIAXBPCUAUSGJH-UHFFFAOYSA-N |
| Molecular Formula | C18H11BrS |
2-Bromo-1-fluoro-4-nitrobenzene 95.0+%, TCI America™
CAS: 701-45-1 Molecular Formula: C6H3BrFNO2 Molecular Weight (g/mol): 219.997 MDL Number: MFCD00055433 InChI Key: FAWMTDSAMOCUAR-UHFFFAOYSA-N Synonym: 3-bromo-4-fluoronitrobenzene,1-bromo-2-fluoro-5-nitrobenzene,3-bromo-4-fluoro-1-nitrobenzene,2-bromo-1-fluoro-4-nitro-benzene,2-bromo-4-nitrofluorobenzene,benzene, 2-bromo-1-fluoro-4-nitro,pubchem8499,acmc-1birt,3-bromo-4-fluoronitrobezene,ksc494c7t PubChem CID: 69699 IUPAC Name: 2-bromo-1-fluoro-4-nitrobenzene SMILES: C1=CC(=C(C=C1[N+](=O)[O-])Br)F
| PubChem CID | 69699 |
|---|---|
| CAS | 701-45-1 |
| Molecular Weight (g/mol) | 219.997 |
| MDL Number | MFCD00055433 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])Br)F |
| Synonym | 3-bromo-4-fluoronitrobenzene,1-bromo-2-fluoro-5-nitrobenzene,3-bromo-4-fluoro-1-nitrobenzene,2-bromo-1-fluoro-4-nitro-benzene,2-bromo-4-nitrofluorobenzene,benzene, 2-bromo-1-fluoro-4-nitro,pubchem8499,acmc-1birt,3-bromo-4-fluoronitrobezene,ksc494c7t |
| IUPAC Name | 2-bromo-1-fluoro-4-nitrobenzene |
| InChI Key | FAWMTDSAMOCUAR-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrFNO2 |
1,4-Dibromo-2-nitrobenzene 98.0+%, TCI America™
CAS: 3460-18-2 Molecular Formula: C6H3Br2NO2 Molecular Weight (g/mol): 280.903 MDL Number: MFCD00007046 InChI Key: WRGKKASJBOREMB-UHFFFAOYSA-N Synonym: 2,5-dibromonitrobenzene,1,4-dibromo-2-nitro-benzene,benzene, 1,4-dibromo-2-nitro,2,5-dibromo-1-nitrobenzene,rarechem fh 1w 0042,pubchem3899,1,4-dibromonitrobenzene,2,5-dibromo nitrobenzene,2,5-dibromo-nitrobenzene,acmc-1ahj1 PubChem CID: 77004 IUPAC Name: 1,4-dibromo-2-nitrobenzene SMILES: C1=CC(=C(C=C1Br)[N+](=O)[O-])Br
| PubChem CID | 77004 |
|---|---|
| CAS | 3460-18-2 |
| Molecular Weight (g/mol) | 280.903 |
| MDL Number | MFCD00007046 |
| SMILES | C1=CC(=C(C=C1Br)[N+](=O)[O-])Br |
| Synonym | 2,5-dibromonitrobenzene,1,4-dibromo-2-nitro-benzene,benzene, 1,4-dibromo-2-nitro,2,5-dibromo-1-nitrobenzene,rarechem fh 1w 0042,pubchem3899,1,4-dibromonitrobenzene,2,5-dibromo nitrobenzene,2,5-dibromo-nitrobenzene,acmc-1ahj1 |
| IUPAC Name | 1,4-dibromo-2-nitrobenzene |
| InChI Key | WRGKKASJBOREMB-UHFFFAOYSA-N |
| Molecular Formula | C6H3Br2NO2 |
4-Bromo-2-methylbenzonitrile 98.0+%, TCI America™
CAS: 67832-11-5 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.05 MDL Number: MFCD00041461 InChI Key: LPEBMDFRIKYFCF-UHFFFAOYSA-N Synonym: benzonitrile, 4-bromo-2-methyl,5-bromo-2-cyanotoluene,4-bromo-2-methyl-benzonitrile,2-methyl-4-bromo benzonitrile,2-methyl-4-bromobenzonitrile,4-bromo-2-methylbenzene carbonitrile,4-bromo-2-methylbenzenecarbonitrile,pubchem4721,4-bromo-methylbenzonitrile,4bromo-2-methylbenzonitrile PubChem CID: 144267 IUPAC Name: 4-bromo-2-methylbenzonitrile SMILES: CC1=CC(Br)=CC=C1C#N
| PubChem CID | 144267 |
|---|---|
| CAS | 67832-11-5 |
| Molecular Weight (g/mol) | 196.05 |
| MDL Number | MFCD00041461 |
| SMILES | CC1=CC(Br)=CC=C1C#N |
| Synonym | benzonitrile, 4-bromo-2-methyl,5-bromo-2-cyanotoluene,4-bromo-2-methyl-benzonitrile,2-methyl-4-bromo benzonitrile,2-methyl-4-bromobenzonitrile,4-bromo-2-methylbenzene carbonitrile,4-bromo-2-methylbenzenecarbonitrile,pubchem4721,4-bromo-methylbenzonitrile,4bromo-2-methylbenzonitrile |
| IUPAC Name | 4-bromo-2-methylbenzonitrile |
| InChI Key | LPEBMDFRIKYFCF-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrN |
4-Bromo-2,6-difluorobenzonitrile 98.0+%, TCI America™
CAS: 123843-67-4 Molecular Formula: C7H2BrF2N Molecular Weight (g/mol): 218.00 MDL Number: MFCD01310981 InChI Key: TZHQWUAOIWRFSW-UHFFFAOYSA-N Synonym: 4-bromo-2,6-difluoro-benzonitrile,2,6-difluoro-4-bromobenzonitrile,benzonitrile, 4-bromo-2,6-difluoro,4-bromo-2,6-difluorobenzenecarbonitrile,pubchem4699,acmc-1bymk,ksc513m5d,4-bromo-2,6-difluoro-bezonitrile,2,6-difluoro-4-bromo-benzonitrile PubChem CID: 2756916 IUPAC Name: 4-bromo-2,6-difluorobenzonitrile SMILES: FC1=CC(Br)=CC(F)=C1C#N
| PubChem CID | 2756916 |
|---|---|
| CAS | 123843-67-4 |
| Molecular Weight (g/mol) | 218.00 |
| MDL Number | MFCD01310981 |
| SMILES | FC1=CC(Br)=CC(F)=C1C#N |
| Synonym | 4-bromo-2,6-difluoro-benzonitrile,2,6-difluoro-4-bromobenzonitrile,benzonitrile, 4-bromo-2,6-difluoro,4-bromo-2,6-difluorobenzenecarbonitrile,pubchem4699,acmc-1bymk,ksc513m5d,4-bromo-2,6-difluoro-bezonitrile,2,6-difluoro-4-bromo-benzonitrile |
| IUPAC Name | 4-bromo-2,6-difluorobenzonitrile |
| InChI Key | TZHQWUAOIWRFSW-UHFFFAOYSA-N |
| Molecular Formula | C7H2BrF2N |
3-(4-Bromophenyl)propiolic Acid 98.0+%, TCI America™
CAS: 25294-65-9 Molecular Formula: C9H5BrO2 Molecular Weight (g/mol): 225.04 MDL Number: MFCD03230769 InChI Key: GZFOMZGALYVQDX-UHFFFAOYSA-N Synonym: (4-Bromophenyl)propargylic Acid, 3-(4-Bromophenyl)-2-propynoic Acid PubChem CID: 825805 IUPAC Name: 3-(4-bromophenyl)prop-2-ynoic acid SMILES: OC(=O)C#CC1=CC=C(Br)C=C1
| PubChem CID | 825805 |
|---|---|
| CAS | 25294-65-9 |
| Molecular Weight (g/mol) | 225.04 |
| MDL Number | MFCD03230769 |
| SMILES | OC(=O)C#CC1=CC=C(Br)C=C1 |
| Synonym | (4-Bromophenyl)propargylic Acid, 3-(4-Bromophenyl)-2-propynoic Acid |
| IUPAC Name | 3-(4-bromophenyl)prop-2-ynoic acid |
| InChI Key | GZFOMZGALYVQDX-UHFFFAOYSA-N |
| Molecular Formula | C9H5BrO2 |
3-Bromoaniline 98.0+%, TCI America™
CAS: 591-19-5 Molecular Formula: C6H6BrN Molecular Weight (g/mol): 172.03 MDL Number: MFCD00007757 InChI Key: DHYHYLGCQVVLOQ-UHFFFAOYSA-N Synonym: m-bromoaniline,benzenamine, 3-bromo,3-bromo aniline,m-aminobromobenzene,aniline, m-bromo,3-bromobenzenamine,3-bromophenylamine,bromoaniline 3-,3-bromo-benzenamine,3-bromo-phenylamine PubChem CID: 11562 IUPAC Name: 3-bromoaniline SMILES: NC1=CC=CC(Br)=C1
| PubChem CID | 11562 |
|---|---|
| CAS | 591-19-5 |
| Molecular Weight (g/mol) | 172.03 |
| MDL Number | MFCD00007757 |
| SMILES | NC1=CC=CC(Br)=C1 |
| Synonym | m-bromoaniline,benzenamine, 3-bromo,3-bromo aniline,m-aminobromobenzene,aniline, m-bromo,3-bromobenzenamine,3-bromophenylamine,bromoaniline 3-,3-bromo-benzenamine,3-bromo-phenylamine |
| IUPAC Name | 3-bromoaniline |
| InChI Key | DHYHYLGCQVVLOQ-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrN |
1-Bromo-2-(trifluoromethoxy)benzene 98.0+%, TCI America™
CAS: 64115-88-4 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.01 MDL Number: MFCD00040942 InChI Key: ITYCJCVRPBLODP-UHFFFAOYSA-N Synonym: 1-bromo-2-trifluoromethoxy benzene,2-trifluoromethoxy bromobenzene,2-bromo trifluoromethoxy benzene,o-trifluoromethoxybromobenzene,o-bromo trifluoromethoxy benzene,2-bromo-alpha,alpha,alpha-trifluoroanisole,2-bromophenyl trifluoromethyl ether,trifluoromethoxy bromobenzene,o-bromotrifluoromethoxybenzene,benzene, bromo trifluoromethoxy PubChem CID: 2777266 IUPAC Name: 1-bromo-2-(trifluoromethoxy)benzene SMILES: FC(F)(F)OC1=CC=CC=C1Br
| PubChem CID | 2777266 |
|---|---|
| CAS | 64115-88-4 |
| Molecular Weight (g/mol) | 241.01 |
| MDL Number | MFCD00040942 |
| SMILES | FC(F)(F)OC1=CC=CC=C1Br |
| Synonym | 1-bromo-2-trifluoromethoxy benzene,2-trifluoromethoxy bromobenzene,2-bromo trifluoromethoxy benzene,o-trifluoromethoxybromobenzene,o-bromo trifluoromethoxy benzene,2-bromo-alpha,alpha,alpha-trifluoroanisole,2-bromophenyl trifluoromethyl ether,trifluoromethoxy bromobenzene,o-bromotrifluoromethoxybenzene,benzene, bromo trifluoromethoxy |
| IUPAC Name | 1-bromo-2-(trifluoromethoxy)benzene |
| InChI Key | ITYCJCVRPBLODP-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3O |
4-Bromo-3-nitroaniline 98.0+%, TCI America™
CAS: 53324-38-2 Molecular Formula: C6H5BrN2O2 Molecular Weight (g/mol): 217.02 MDL Number: MFCD01320678 InChI Key: PITHQPMZWKZGRZ-UHFFFAOYSA-N PubChem CID: 612299 IUPAC Name: 4-bromo-3-nitroaniline SMILES: NC1=CC=C(Br)C(=C1)[N+]([O-])=O
| PubChem CID | 612299 |
|---|---|
| CAS | 53324-38-2 |
| Molecular Weight (g/mol) | 217.02 |
| MDL Number | MFCD01320678 |
| SMILES | NC1=CC=C(Br)C(=C1)[N+]([O-])=O |
| IUPAC Name | 4-bromo-3-nitroaniline |
| InChI Key | PITHQPMZWKZGRZ-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrN2O2 |
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 |
4-Bromodiphenyl Ether 98.0+%, TCI America™
CAS: 101-55-3 Molecular Formula: C12H9BrO Molecular Weight (g/mol): 249.107 MDL Number: MFCD00000094 InChI Key: JDUYPUMQALQRCN-UHFFFAOYSA-N Synonym: 4-bromodiphenyl ether,4-bromophenyl phenyl ether,4-bromophenoxybenzene,p-bromodiphenyl ether,p-phenoxybromobenzene,benzene, 1-bromo-4-phenoxy,p-bromophenyl phenyl ether,4-bromodiphenylether,p-bromophenoxybenzene,ether, p-bromophenyl phenyl PubChem CID: 7565 ChEBI: CHEBI:77421 IUPAC Name: 1-bromo-4-phenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)Br
| PubChem CID | 7565 |
|---|---|
| CAS | 101-55-3 |
| Molecular Weight (g/mol) | 249.107 |
| ChEBI | CHEBI:77421 |
| MDL Number | MFCD00000094 |
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)Br |
| Synonym | 4-bromodiphenyl ether,4-bromophenyl phenyl ether,4-bromophenoxybenzene,p-bromodiphenyl ether,p-phenoxybromobenzene,benzene, 1-bromo-4-phenoxy,p-bromophenyl phenyl ether,4-bromodiphenylether,p-bromophenoxybenzene,ether, p-bromophenyl phenyl |
| IUPAC Name | 1-bromo-4-phenoxybenzene |
| InChI Key | JDUYPUMQALQRCN-UHFFFAOYSA-N |
| Molecular Formula | C12H9BrO |
3-Bromophenyl Isocyanate 98.0+%, TCI America™
CAS: 23138-55-8 Molecular Formula: C7H4BrNO Molecular Weight (g/mol): 198.02 MDL Number: MFCD00002014 InChI Key: VQVBCZQTXSHJGF-UHFFFAOYSA-N Synonym: 3-bromophenyl isocyanate,3-bromophenylisocyanate,benzene, 1-bromo-3-isocyanato,isocyanic acid 3-bromophenyl ester,3-bromobenzenisocyanate,m-bromophenylisocyanate,3-bromophenyliso-cyanate,3-bromo phenyl isocyanate,3-bromo-phenyl isocyanate,acmc-209g1f PubChem CID: 141001 IUPAC Name: 1-bromo-3-isocyanatobenzene SMILES: BrC1=CC=CC(=C1)N=C=O
| PubChem CID | 141001 |
|---|---|
| CAS | 23138-55-8 |
| Molecular Weight (g/mol) | 198.02 |
| MDL Number | MFCD00002014 |
| SMILES | BrC1=CC=CC(=C1)N=C=O |
| Synonym | 3-bromophenyl isocyanate,3-bromophenylisocyanate,benzene, 1-bromo-3-isocyanato,isocyanic acid 3-bromophenyl ester,3-bromobenzenisocyanate,m-bromophenylisocyanate,3-bromophenyliso-cyanate,3-bromo phenyl isocyanate,3-bromo-phenyl isocyanate,acmc-209g1f |
| IUPAC Name | 1-bromo-3-isocyanatobenzene |
| InChI Key | VQVBCZQTXSHJGF-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO |
4-Methyl-3-nitrobenzenesulfonyl Chloride 98.0+%, TCI America™
CAS: 616-83-1 Molecular Formula: C7H6ClNO4S Molecular Weight (g/mol): 235.638 MDL Number: MFCD00129811 InChI Key: OQFYBGANSUNUAO-UHFFFAOYSA-N Synonym: 4-methyl-3-nitrobenzene-1-sulfonyl chloride,2-nitrotoluene-4-sulfonyl chloride,4-methyl-3-nitro-benzenesulfonyl chloride,4-methyl-3-nitrobenzenesulfonylchloride,chloro 4-methyl-3-nitrophenyl sulfone,4-methyl-3-nitrobenzolsulfonylchlorid,pubchem5674,acmc-1awd3,3-nitro-p-toluenesulfonyl chloride,3-nitro-4-methyl phenylsulfonyl chloride PubChem CID: 560638 IUPAC Name: 4-methyl-3-nitrobenzenesulfonyl chloride SMILES: CC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-]
| PubChem CID | 560638 |
|---|---|
| CAS | 616-83-1 |
| Molecular Weight (g/mol) | 235.638 |
| MDL Number | MFCD00129811 |
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)Cl)[N+](=O)[O-] |
| Synonym | 4-methyl-3-nitrobenzene-1-sulfonyl chloride,2-nitrotoluene-4-sulfonyl chloride,4-methyl-3-nitro-benzenesulfonyl chloride,4-methyl-3-nitrobenzenesulfonylchloride,chloro 4-methyl-3-nitrophenyl sulfone,4-methyl-3-nitrobenzolsulfonylchlorid,pubchem5674,acmc-1awd3,3-nitro-p-toluenesulfonyl chloride,3-nitro-4-methyl phenylsulfonyl chloride |
| IUPAC Name | 4-methyl-3-nitrobenzenesulfonyl chloride |
| InChI Key | OQFYBGANSUNUAO-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO4S |
4-Fluoro-3-nitrotoluene 98.0+%, TCI America™
CAS: 446-11-7 Molecular Formula: C7H6FNO2 Molecular Weight (g/mol): 155.128 MDL Number: MFCD00007060 InChI Key: OORBDHOQLZRIQR-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitrotoluene,3-nitro-4-fluorotoluene,2-fluoro-5-methylnitrobenzene,4-methyl-2-nitro-1-fluorobenzene,1-fluoro-4-methyl-2-nitro-benzene,benzene, 1-fluoro-4-methyl-2-nitro,pubchem1597,acmc-1aqwi,4-fluro-3-nitrotoluene,4-fluoro-3-nitro toluene PubChem CID: 136287 IUPAC Name: 1-fluoro-4-methyl-2-nitrobenzene SMILES: CC1=CC(=C(C=C1)F)[N+](=O)[O-]
| PubChem CID | 136287 |
|---|---|
| CAS | 446-11-7 |
| Molecular Weight (g/mol) | 155.128 |
| MDL Number | MFCD00007060 |
| SMILES | CC1=CC(=C(C=C1)F)[N+](=O)[O-] |
| Synonym | 4-fluoro-3-nitrotoluene,3-nitro-4-fluorotoluene,2-fluoro-5-methylnitrobenzene,4-methyl-2-nitro-1-fluorobenzene,1-fluoro-4-methyl-2-nitro-benzene,benzene, 1-fluoro-4-methyl-2-nitro,pubchem1597,acmc-1aqwi,4-fluro-3-nitrotoluene,4-fluoro-3-nitro toluene |
| IUPAC Name | 1-fluoro-4-methyl-2-nitrobenzene |
| InChI Key | OORBDHOQLZRIQR-UHFFFAOYSA-N |
| Molecular Formula | C7H6FNO2 |
3-Methyl-4-nitroaniline 97.0+%, TCI America™
CAS: 611-05-2 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 InChI Key: XPAYEWBTLKOEDA-UHFFFAOYSA-N Synonym: 4-nitro-m-toluidine,benzenamine, 3-methyl-4-nitro,3-methyl-4-nitro-aniline,3-methyl-4-nitro-phenylamine,3-methyl-4-nitrophenylamine,4-nitro-m-toluidin,3-methyl4-nitroaniline,pubchem12456,3-mehtyl-4-nitroanilin,5-amino-2-nitrotoluene PubChem CID: 11898 IUPAC Name: 3-methyl-4-nitroaniline SMILES: CC1=C(C=CC(=C1)N)[N+](=O)[O-]
| PubChem CID | 11898 |
|---|---|
| CAS | 611-05-2 |
| Molecular Weight (g/mol) | 152.153 |
| SMILES | CC1=C(C=CC(=C1)N)[N+](=O)[O-] |
| Synonym | 4-nitro-m-toluidine,benzenamine, 3-methyl-4-nitro,3-methyl-4-nitro-aniline,3-methyl-4-nitro-phenylamine,3-methyl-4-nitrophenylamine,4-nitro-m-toluidin,3-methyl4-nitroaniline,pubchem12456,3-mehtyl-4-nitroanilin,5-amino-2-nitrotoluene |
| IUPAC Name | 3-methyl-4-nitroaniline |
| InChI Key | XPAYEWBTLKOEDA-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |