Benzene and substituted derivatives
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2,6-Dichlorobenzoyl Chloride 98.0+%, TCI America™
CAS: 4659-45-4 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00000662 InChI Key: JBLIDPPHFGWTKU-UHFFFAOYSA-N Synonym: benzoyl chloride, 2,6-dichloro,2,6-dichlorobenzoylchloride,unii-394f6s81wy,2,6-dichloro-benzoyl chloride,ccris 8617,pubchem18674,acmc-209k7i,2.6-dichlorobenzoylchloride,dsstox_cid_12891,dsstox_rid_79043 PubChem CID: 78392 IUPAC Name: 2,6-dichlorobenzoyl chloride SMILES: C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl
| PubChem CID | 78392 |
|---|---|
| CAS | 4659-45-4 |
| Molecular Weight (g/mol) | 209.45 |
| MDL Number | MFCD00000662 |
| SMILES | C1=CC(=C(C(=C1)Cl)C(=O)Cl)Cl |
| Synonym | benzoyl chloride, 2,6-dichloro,2,6-dichlorobenzoylchloride,unii-394f6s81wy,2,6-dichloro-benzoyl chloride,ccris 8617,pubchem18674,acmc-209k7i,2.6-dichlorobenzoylchloride,dsstox_cid_12891,dsstox_rid_79043 |
| IUPAC Name | 2,6-dichlorobenzoyl chloride |
| InChI Key | JBLIDPPHFGWTKU-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O |
4-Fluoro-2-iodotoluene 97.0+%, TCI America™
CAS: 13194-67-7 Molecular Formula: C7H6FI Molecular Weight (g/mol): 236.028 MDL Number: MFCD00013709 InChI Key: RZGYAMQMAVTAKP-UHFFFAOYSA-N Synonym: 4-fluoro-2-iodotoluene,benzene, 4-fluoro-2-iodo-1-methyl,2-iodo-4-fluorotoluene,4-fluoro-2-iodo-1-methyl-benzene,1-fluoro-3-iodo-4-methyl-benzene,4-fluor-2-iod-1-methylbenzol,zlchem 432,pubchem1622,acmc-209bo9 PubChem CID: 83220 IUPAC Name: 4-fluoro-2-iodo-1-methylbenzene SMILES: CC1=C(C=C(C=C1)F)I
| PubChem CID | 83220 |
|---|---|
| CAS | 13194-67-7 |
| Molecular Weight (g/mol) | 236.028 |
| MDL Number | MFCD00013709 |
| SMILES | CC1=C(C=C(C=C1)F)I |
| Synonym | 4-fluoro-2-iodotoluene,benzene, 4-fluoro-2-iodo-1-methyl,2-iodo-4-fluorotoluene,4-fluoro-2-iodo-1-methyl-benzene,1-fluoro-3-iodo-4-methyl-benzene,4-fluor-2-iod-1-methylbenzol,zlchem 432,pubchem1622,acmc-209bo9 |
| IUPAC Name | 4-fluoro-2-iodo-1-methylbenzene |
| InChI Key | RZGYAMQMAVTAKP-UHFFFAOYSA-N |
| Molecular Formula | C7H6FI |
4,4'-Diiodo-2,2'-dimethylbiphenyl 98.0+%, TCI America™
CAS: 69571-02-4 Molecular Formula: C14H12I2 Molecular Weight (g/mol): 434.06 MDL Number: MFCD13185944 InChI Key: WHFMNDMHTIOIMS-UHFFFAOYSA-N PubChem CID: 13797298 IUPAC Name: 4,4'-diiodo-2,2'-dimethyl-1,1'-biphenyl SMILES: CC1=C(C=CC(I)=C1)C1=C(C)C=C(I)C=C1
| PubChem CID | 13797298 |
|---|---|
| CAS | 69571-02-4 |
| Molecular Weight (g/mol) | 434.06 |
| MDL Number | MFCD13185944 |
| SMILES | CC1=C(C=CC(I)=C1)C1=C(C)C=C(I)C=C1 |
| IUPAC Name | 4,4'-diiodo-2,2'-dimethyl-1,1'-biphenyl |
| InChI Key | WHFMNDMHTIOIMS-UHFFFAOYSA-N |
| Molecular Formula | C14H12I2 |
4-Hydroxy-3-methoxyphenylpyruvic Acid 95.0+%, TCI America™
CAS: 1081-71-6 Molecular Formula: C10H10O5 Molecular Weight (g/mol): 210.185 MDL Number: MFCD00056707 InChI Key: YGQHQTMRZPHIBB-UHFFFAOYSA-N PubChem CID: 14124 IUPAC Name: 3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid SMILES: COC1=C(C=CC(=C1)CC(=O)C(=O)O)O
| PubChem CID | 14124 |
|---|---|
| CAS | 1081-71-6 |
| Molecular Weight (g/mol) | 210.185 |
| MDL Number | MFCD00056707 |
| SMILES | COC1=C(C=CC(=C1)CC(=O)C(=O)O)O |
| IUPAC Name | 3-(4-hydroxy-3-methoxyphenyl)-2-oxopropanoic acid |
| InChI Key | YGQHQTMRZPHIBB-UHFFFAOYSA-N |
| Molecular Formula | C10H10O5 |
N-[4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide 98.0+%, TCI America™
CAS: 616880-14-9 Molecular Formula: C13H20BNO4S Molecular Weight (g/mol): 297.176 MDL Number: MFCD05663876 InChI Key: NPSPNWPZDXQYAC-UHFFFAOYSA-N Synonym: n-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanesulfonamide,4-methanesulfonylamino phenylboronic acid pinacol ester,4-methanesulfonylaminophenylboronic acid, pinacol ester,4-methanesulfonylaminophenylboronic acid pinacol ester,n-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanesulfonamide,amtb416,4-methanesulfonylamino phenyl boronic acid pinacol ester,4-methanesulfonamido phenylboronic acid pinacol ester PubChem CID: 16217653 IUPAC Name: N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NS(=O)(=O)C
| PubChem CID | 16217653 |
|---|---|
| CAS | 616880-14-9 |
| Molecular Weight (g/mol) | 297.176 |
| MDL Number | MFCD05663876 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NS(=O)(=O)C |
| Synonym | n-4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanesulfonamide,4-methanesulfonylamino phenylboronic acid pinacol ester,4-methanesulfonylaminophenylboronic acid, pinacol ester,4-methanesulfonylaminophenylboronic acid pinacol ester,n-4-tetramethyl-1,3,2-dioxaborolan-2-yl phenyl methanesulfonamide,amtb416,4-methanesulfonylamino phenyl boronic acid pinacol ester,4-methanesulfonamido phenylboronic acid pinacol ester |
| IUPAC Name | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide |
| InChI Key | NPSPNWPZDXQYAC-UHFFFAOYSA-N |
| Molecular Formula | C13H20BNO4S |
4-Bromophenylacetic Acid 98.0+%, TCI America™
CAS: 1878-68-8 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00004342 InChI Key: QOWSWEBLNVACCL-UHFFFAOYSA-N Synonym: 4-bromophenylacetic acid,2-4-bromophenyl acetic acid,4-bromophenyl acetic acid,p-bromophenylacetic acid,4-bromobenzeneacetic acid,benzeneacetic acid, 4-bromo,p-bromophenyl acetic acid,acetic acid, p-bromophenyl,p-bromphenylessigsaure german PubChem CID: 74654 ChEBI: CHEBI:1790 IUPAC Name: 2-(4-bromophenyl)acetic acid SMILES: OC(=O)CC1=CC=C(Br)C=C1
| PubChem CID | 74654 |
|---|---|
| CAS | 1878-68-8 |
| Molecular Weight (g/mol) | 215.05 |
| ChEBI | CHEBI:1790 |
| MDL Number | MFCD00004342 |
| SMILES | OC(=O)CC1=CC=C(Br)C=C1 |
| Synonym | 4-bromophenylacetic acid,2-4-bromophenyl acetic acid,4-bromophenyl acetic acid,p-bromophenylacetic acid,4-bromobenzeneacetic acid,benzeneacetic acid, 4-bromo,p-bromophenyl acetic acid,acetic acid, p-bromophenyl,p-bromphenylessigsaure german |
| IUPAC Name | 2-(4-bromophenyl)acetic acid |
| InChI Key | QOWSWEBLNVACCL-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
1-Bromo-4-(phenylethynyl)benzene 98.0+%, TCI America™
CAS: 13667-12-4 Molecular Formula: C14H9Br Molecular Weight (g/mol): 257.13 MDL Number: MFCD01596910 InChI Key: XLHCHVUFUPJPEO-UHFFFAOYSA-N Synonym: 1-(4-Bromophenyl)-2-phenylacetylene PubChem CID: 290888 IUPAC Name: 1-bromo-4-(2-phenylethynyl)benzene SMILES: C1=CC=C(C=C1)C#CC2=CC=C(C=C2)Br
| PubChem CID | 290888 |
|---|---|
| CAS | 13667-12-4 |
| Molecular Weight (g/mol) | 257.13 |
| MDL Number | MFCD01596910 |
| SMILES | C1=CC=C(C=C1)C#CC2=CC=C(C=C2)Br |
| Synonym | 1-(4-Bromophenyl)-2-phenylacetylene |
| IUPAC Name | 1-bromo-4-(2-phenylethynyl)benzene |
| InChI Key | XLHCHVUFUPJPEO-UHFFFAOYSA-N |
| Molecular Formula | C14H9Br |
(S)-(-)-1-(4-Bromophenyl)ethylamine 98.0+%, TCI America™
CAS: 27298-97-1 Molecular Formula: C8H11BrN Molecular Weight (g/mol): 201.09 MDL Number: MFCD00066026 InChI Key: SOZMSEPDYJGBEK-LURJTMIESA-O Synonym: s---1-4-bromophenyl ethylamine,s-1-4-bromophenyl ethanamine,s---4-bromo-alpha-phenylethylamine,s-1-4-bromophenyl ethylamine,1s-1-4-bromophenyl ethanamine,s-1-4-bromophenyl-ethylamine,1s-1-4-bromophenyl ethan-1-amine,s---1-4-bromo-phenyl-ethylamine,benzenemethanamine,4-bromo-a-methyl-, as,s-1-4-bromophenyl ethanamine-hcl PubChem CID: 852999 IUPAC Name: (1S)-1-(4-bromophenyl)ethan-1-aminium SMILES: C[C@H]([NH3+])C1=CC=C(Br)C=C1
| PubChem CID | 852999 |
|---|---|
| CAS | 27298-97-1 |
| Molecular Weight (g/mol) | 201.09 |
| MDL Number | MFCD00066026 |
| SMILES | C[C@H]([NH3+])C1=CC=C(Br)C=C1 |
| Synonym | s---1-4-bromophenyl ethylamine,s-1-4-bromophenyl ethanamine,s---4-bromo-alpha-phenylethylamine,s-1-4-bromophenyl ethylamine,1s-1-4-bromophenyl ethanamine,s-1-4-bromophenyl-ethylamine,1s-1-4-bromophenyl ethan-1-amine,s---1-4-bromo-phenyl-ethylamine,benzenemethanamine,4-bromo-a-methyl-, as,s-1-4-bromophenyl ethanamine-hcl |
| IUPAC Name | (1S)-1-(4-bromophenyl)ethan-1-aminium |
| InChI Key | SOZMSEPDYJGBEK-LURJTMIESA-O |
| Molecular Formula | C8H11BrN |
4-Bromotetraphenylsilane 96.0+%, TCI America™
CAS: 18737-40-1 Molecular Formula: C24H19BrSi Molecular Weight (g/mol): 415.405 InChI Key: UDZSLJULKCKKPX-UHFFFAOYSA-N PubChem CID: 297506 IUPAC Name: (4-bromophenyl)-triphenylsilane SMILES: C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)Br
| PubChem CID | 297506 |
|---|---|
| CAS | 18737-40-1 |
| Molecular Weight (g/mol) | 415.405 |
| SMILES | C1=CC=C(C=C1)[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=C(C=C4)Br |
| IUPAC Name | (4-bromophenyl)-triphenylsilane |
| InChI Key | UDZSLJULKCKKPX-UHFFFAOYSA-N |
| Molecular Formula | C24H19BrSi |
4-Bromo-1,2-dimethoxybenzene 97.0+%, TCI America™
CAS: 2859-78-1 Molecular Formula: C8H9BrO2 Molecular Weight (g/mol): 217.062 MDL Number: MFCD00008381 InChI Key: KBTMGSMZIKLAHN-UHFFFAOYSA-N Synonym: 4-bromoveratrole,1-bromo-3,4-dimethoxybenzene,3,4-dimethoxybromobenzene,p-bromoveratrole,benzene, 4-bromo-1,2-dimethoxy,3,4-dimethoxyphenyl bromide,4-bromo-1,2-dimethoxy-benzene,1,2-dimethoxy-4-bromobenzene,4-bromocatechol dimethyl ether,4-bromoveratrol PubChem CID: 76114 IUPAC Name: 4-bromo-1,2-dimethoxybenzene SMILES: COC1=C(C=C(C=C1)Br)OC
| PubChem CID | 76114 |
|---|---|
| CAS | 2859-78-1 |
| Molecular Weight (g/mol) | 217.062 |
| MDL Number | MFCD00008381 |
| SMILES | COC1=C(C=C(C=C1)Br)OC |
| Synonym | 4-bromoveratrole,1-bromo-3,4-dimethoxybenzene,3,4-dimethoxybromobenzene,p-bromoveratrole,benzene, 4-bromo-1,2-dimethoxy,3,4-dimethoxyphenyl bromide,4-bromo-1,2-dimethoxy-benzene,1,2-dimethoxy-4-bromobenzene,4-bromocatechol dimethyl ether,4-bromoveratrol |
| IUPAC Name | 4-bromo-1,2-dimethoxybenzene |
| InChI Key | KBTMGSMZIKLAHN-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO2 |
4-Bromobenzenediazonium Tetrafluoroborate 97.0+%, TCI America™
CAS: 673-40-5 Molecular Formula: C6H4BBrF4N2 Molecular Weight (g/mol): 270.82 MDL Number: MFCD00011894 InChI Key: FXTCQUCYDJZGGU-UHFFFAOYSA-N Synonym: 4-bromobenzenediazonium tetrafluoroborate,acmc-209nyn,4-bromobenzene-1-diazonium; tetrafluoroboranuide,boron +3 cation; 4-bromobenzenediazonium; tetrafluoride PubChem CID: 2734810 IUPAC Name: 4-bromobenzene-1-diazonium; tetrafluoroboranuide SMILES: F[B-](F)(F)F.BrC1=CC=C(C=C1)[N+]#N
| PubChem CID | 2734810 |
|---|---|
| CAS | 673-40-5 |
| Molecular Weight (g/mol) | 270.82 |
| MDL Number | MFCD00011894 |
| SMILES | F[B-](F)(F)F.BrC1=CC=C(C=C1)[N+]#N |
| Synonym | 4-bromobenzenediazonium tetrafluoroborate,acmc-209nyn,4-bromobenzene-1-diazonium; tetrafluoroboranuide,boron +3 cation; 4-bromobenzenediazonium; tetrafluoride |
| IUPAC Name | 4-bromobenzene-1-diazonium; tetrafluoroboranuide |
| InChI Key | FXTCQUCYDJZGGU-UHFFFAOYSA-N |
| Molecular Formula | C6H4BBrF4N2 |
1-Bromo-3,5-dimethoxybenzene 98.0+%, TCI America™
CAS: 20469-65-2 Molecular Formula: C8H9BrO2 Molecular Weight (g/mol): 217.06 MDL Number: MFCD06200685 InChI Key: KRWRFIMBWRVMKE-UHFFFAOYSA-N Synonym: 3,5-dimethoxybromobenzene,benzene, 1-bromo-3,5-dimethoxy,1,3-dimethoxy-5-bromobenzene,1-bromo-3,5-dimethoxy-benzene,1-bromo-3,5-dimethox,3,5-dimethoxy-bromobenzene,bromo-3,5-dimethoxybenzene,3,5-dimethoxy bromobenzene,acmc-1cs59,ksc495e7l PubChem CID: 639187 IUPAC Name: 1-bromo-3,5-dimethoxybenzene SMILES: COC1=CC(OC)=CC(Br)=C1
| PubChem CID | 639187 |
|---|---|
| CAS | 20469-65-2 |
| Molecular Weight (g/mol) | 217.06 |
| MDL Number | MFCD06200685 |
| SMILES | COC1=CC(OC)=CC(Br)=C1 |
| Synonym | 3,5-dimethoxybromobenzene,benzene, 1-bromo-3,5-dimethoxy,1,3-dimethoxy-5-bromobenzene,1-bromo-3,5-dimethoxy-benzene,1-bromo-3,5-dimethox,3,5-dimethoxy-bromobenzene,bromo-3,5-dimethoxybenzene,3,5-dimethoxy bromobenzene,acmc-1cs59,ksc495e7l |
| IUPAC Name | 1-bromo-3,5-dimethoxybenzene |
| InChI Key | KRWRFIMBWRVMKE-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO2 |
2,5-Dibromotoluene 98.0+%, TCI America™
CAS: 615-59-8 Molecular Formula: C7H6Br2 Molecular Weight (g/mol): 249.933 MDL Number: MFCD00000090 InChI Key: QKEZTJYRBHOKHH-UHFFFAOYSA-N Synonym: 2,5-dibromotoluene,benzene, 1,4-dibromo-2-methyl,toluene, 2,5-dibromo,2,5-dibromo toluene,3,6-dibromotoluene,1,4-dibromo-2-methyl-benzene,pubchem3922,acmc-209mu2,chemwish ic06904 PubChem CID: 12006 IUPAC Name: 1,4-dibromo-2-methylbenzene SMILES: CC1=C(C=CC(=C1)Br)Br
| PubChem CID | 12006 |
|---|---|
| CAS | 615-59-8 |
| Molecular Weight (g/mol) | 249.933 |
| MDL Number | MFCD00000090 |
| SMILES | CC1=C(C=CC(=C1)Br)Br |
| Synonym | 2,5-dibromotoluene,benzene, 1,4-dibromo-2-methyl,toluene, 2,5-dibromo,2,5-dibromo toluene,3,6-dibromotoluene,1,4-dibromo-2-methyl-benzene,pubchem3922,acmc-209mu2,chemwish ic06904 |
| IUPAC Name | 1,4-dibromo-2-methylbenzene |
| InChI Key | QKEZTJYRBHOKHH-UHFFFAOYSA-N |
| Molecular Formula | C7H6Br2 |
4-Bromophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 5467-74-3 Molecular Formula: C6H6BBrO2 Molecular Weight (g/mol): 200.83 MDL Number: MFCD00002104 InChI Key: QBLFZIBJXUQVRF-UHFFFAOYSA-N Synonym: 4-bromophenyl boronic acid,4-bromobenzeneboronic acid,4-bromophenylboric acid,p-bromophenylboronic acid,p-bromophenylboric acid,p-bromobenzeneboronic acid,boronic acid, 4-bromophenyl,benzeneboronic acid, p-bromo,p-bromophenyl boronic acid,4-bromo phenyl boronic acid PubChem CID: 79599 IUPAC Name: (4-bromophenyl)boronic acid SMILES: OB(O)C1=CC=C(Br)C=C1
| PubChem CID | 79599 |
|---|---|
| CAS | 5467-74-3 |
| Molecular Weight (g/mol) | 200.83 |
| MDL Number | MFCD00002104 |
| SMILES | OB(O)C1=CC=C(Br)C=C1 |
| Synonym | 4-bromophenyl boronic acid,4-bromobenzeneboronic acid,4-bromophenylboric acid,p-bromophenylboronic acid,p-bromophenylboric acid,p-bromobenzeneboronic acid,boronic acid, 4-bromophenyl,benzeneboronic acid, p-bromo,p-bromophenyl boronic acid,4-bromo phenyl boronic acid |
| IUPAC Name | (4-bromophenyl)boronic acid |
| InChI Key | QBLFZIBJXUQVRF-UHFFFAOYSA-N |
| Molecular Formula | C6H6BBrO2 |
1-Bromo-2,4-dichlorobenzene 98.0+%, TCI America™
CAS: 1193-72-2 Molecular Formula: C6H3BrCl2 Molecular Weight (g/mol): 225.894 MDL Number: MFCD00018333 InChI Key: ISHYFWKKWKXXPL-UHFFFAOYSA-N Synonym: 2,4-dichlorobromobenzene,bromo 2--4-dichlorobenzene,1-bromo-2,4-dichloro-benzene,benzene, 1-bromo-2,4-dichloro,pubchem3608,2,4-dichlorobromobenze,2,4-dichloro-bromobenzene,acmc-209a2k,2,4-dichloro-1-bromobenzene,ksc490m9l PubChem CID: 70947 IUPAC Name: 1-bromo-2,4-dichlorobenzene SMILES: C1=CC(=C(C=C1Cl)Cl)Br
| PubChem CID | 70947 |
|---|---|
| CAS | 1193-72-2 |
| Molecular Weight (g/mol) | 225.894 |
| MDL Number | MFCD00018333 |
| SMILES | C1=CC(=C(C=C1Cl)Cl)Br |
| Synonym | 2,4-dichlorobromobenzene,bromo 2--4-dichlorobenzene,1-bromo-2,4-dichloro-benzene,benzene, 1-bromo-2,4-dichloro,pubchem3608,2,4-dichlorobromobenze,2,4-dichloro-bromobenzene,acmc-209a2k,2,4-dichloro-1-bromobenzene,ksc490m9l |
| IUPAC Name | 1-bromo-2,4-dichlorobenzene |
| InChI Key | ISHYFWKKWKXXPL-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrCl2 |