Benzene and substituted derivatives
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1-Bromo-4-iodobenzene, 98%
CAS: 589-87-7 Molecular Formula: C6H4BrI Molecular Weight (g/mol): 282.906 MDL Number: MFCD00001051 InChI Key: UCCUXODGPMAHRL-UHFFFAOYSA-N Synonym: 4-bromoiodobenzene,benzene, 1-bromo-4-iodo,p-bromoiodobenzene,p-iodobromobenzene,p-bromophenyl iodide,4-bromo-1-iodobenzene,1-bromo-4-iodo-benzene,4-iodobromobenzene,rarechem fh 1g 0a12,p-bromo iodobenzene PubChem CID: 11522 IUPAC Name: 1-bromo-4-iodobenzene SMILES: C1=CC(=CC=C1Br)I
| PubChem CID | 11522 |
|---|---|
| CAS | 589-87-7 |
| Molecular Weight (g/mol) | 282.906 |
| MDL Number | MFCD00001051 |
| SMILES | C1=CC(=CC=C1Br)I |
| Synonym | 4-bromoiodobenzene,benzene, 1-bromo-4-iodo,p-bromoiodobenzene,p-iodobromobenzene,p-bromophenyl iodide,4-bromo-1-iodobenzene,1-bromo-4-iodo-benzene,4-iodobromobenzene,rarechem fh 1g 0a12,p-bromo iodobenzene |
| IUPAC Name | 1-bromo-4-iodobenzene |
| InChI Key | UCCUXODGPMAHRL-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrI |
p-Dimethylamino)benzaldehyde ACS AR, Macron Fine Chemicals™
CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1
| PubChem CID | 7479 |
|---|---|
| CAS | 100-10-7 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD00003381 |
| SMILES | CN(C)C1=CC=C(C=O)C=C1 |
| Synonym | 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal |
| IUPAC Name | 4-(dimethylamino)benzaldehyde |
| InChI Key | BGNGWHSBYQYVRX-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
1-Bromo-3-(trifluoromethoxy)benzene, 98+%, Thermo Scientific Chemicals
CAS: 2252-44-0 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.007 MDL Number: MFCD00040943 InChI Key: WVUDHWBCPSXAFN-UHFFFAOYSA-N Synonym: 1-bromo-3-trifluoromethoxy benzene,3-trifluoromethoxy bromobenzene,3-bromo trifluoromethoxy benzene,m-bromo trifluoromethoxy benzene,3-bromo-1-trifluoromethoxy benzene,benzene, 1-bromo-3-trifluoromethoxy,3-bromo-alpha,alpha,alpha-trifluoroanisole,bromo-3-trifluoromethoxy benzene,buttpark 91\57-27,1-bromo-3-trifluoromethoxy-benzene PubChem CID: 519964 IUPAC Name: 1-bromo-3-(trifluoromethoxy)benzene SMILES: C1=CC(=CC(=C1)Br)OC(F)(F)F
| PubChem CID | 519964 |
|---|---|
| CAS | 2252-44-0 |
| Molecular Weight (g/mol) | 241.007 |
| MDL Number | MFCD00040943 |
| SMILES | C1=CC(=CC(=C1)Br)OC(F)(F)F |
| Synonym | 1-bromo-3-trifluoromethoxy benzene,3-trifluoromethoxy bromobenzene,3-bromo trifluoromethoxy benzene,m-bromo trifluoromethoxy benzene,3-bromo-1-trifluoromethoxy benzene,benzene, 1-bromo-3-trifluoromethoxy,3-bromo-alpha,alpha,alpha-trifluoroanisole,bromo-3-trifluoromethoxy benzene,buttpark 91\57-27,1-bromo-3-trifluoromethoxy-benzene |
| IUPAC Name | 1-bromo-3-(trifluoromethoxy)benzene |
| InChI Key | WVUDHWBCPSXAFN-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3O |
2-Bromo-4-chloroanisole, 98%, Thermo Scientific™
CAS: 60633-25-2 Molecular Formula: C7H6BrClO Molecular Weight (g/mol): 221.48 MDL Number: MFCD00079705 InChI Key: YJEMGEBDXDPBSP-UHFFFAOYSA-N Synonym: 2-bromo-4-chloroanisole,2-bromo-4-chloro-1-methoxy-benzene,benzene, 2-bromo-4-chloro-1-methoxy,4-chloro-2-bromoanisole,pubchem2629,2-bromo4-chloroanisole,4-chloro-2-bromanisole,2-bromo-4-chloro anisole,acmc-1b9j6,ksc490k3r PubChem CID: 521935 IUPAC Name: 2-bromo-4-chloro-1-methoxybenzene SMILES: COC1=C(C=C(C=C1)Cl)Br
| PubChem CID | 521935 |
|---|---|
| CAS | 60633-25-2 |
| Molecular Weight (g/mol) | 221.48 |
| MDL Number | MFCD00079705 |
| SMILES | COC1=C(C=C(C=C1)Cl)Br |
| Synonym | 2-bromo-4-chloroanisole,2-bromo-4-chloro-1-methoxy-benzene,benzene, 2-bromo-4-chloro-1-methoxy,4-chloro-2-bromoanisole,pubchem2629,2-bromo4-chloroanisole,4-chloro-2-bromanisole,2-bromo-4-chloro anisole,acmc-1b9j6,ksc490k3r |
| IUPAC Name | 2-bromo-4-chloro-1-methoxybenzene |
| InChI Key | YJEMGEBDXDPBSP-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrClO |
4-Fluorophthalonitrile, 98%
CAS: 65610-14-2 Molecular Formula: C8H3FN2 Molecular Weight (g/mol): 146.124 MDL Number: MFCD00210430 InChI Key: QQEKYCCJLSRLEC-UHFFFAOYSA-N Synonym: 4-fluorophthalonitrile,1,2-benzenedicarbonitrile, 4-fluoro,4-fluorophthalodinitrile,1,2-dicyano-4-fluorobenzene,4-fluoro-phthalonitrile,2-cyano-5-fluorobenzonitrile,4-fluorophthalonitrle,pubchem4027,acmc-1bb7s PubChem CID: 103423 IUPAC Name: 4-fluorobenzene-1,2-dicarbonitrile SMILES: C1=CC(=C(C=C1F)C#N)C#N
| PubChem CID | 103423 |
|---|---|
| CAS | 65610-14-2 |
| Molecular Weight (g/mol) | 146.124 |
| MDL Number | MFCD00210430 |
| SMILES | C1=CC(=C(C=C1F)C#N)C#N |
| Synonym | 4-fluorophthalonitrile,1,2-benzenedicarbonitrile, 4-fluoro,4-fluorophthalodinitrile,1,2-dicyano-4-fluorobenzene,4-fluoro-phthalonitrile,2-cyano-5-fluorobenzonitrile,4-fluorophthalonitrle,pubchem4027,acmc-1bb7s |
| IUPAC Name | 4-fluorobenzene-1,2-dicarbonitrile |
| InChI Key | QQEKYCCJLSRLEC-UHFFFAOYSA-N |
| Molecular Formula | C8H3FN2 |
Benzyl Alcohol, NF, EP, BP, JP, bioCERTIFIED™, 500 mL, Spectrum Chemical
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2-Iodophenylacetonitrile, 96%
CAS: 40400-15-5 Molecular Formula: C8H6IN Molecular Weight (g/mol): 243.047 MDL Number: MFCD00040888 InChI Key: FPSGTRJUQLYLHE-UHFFFAOYSA-N Synonym: 2-iodophenylacetonitrile,2-2-iodophenyl acetonitrile,2-iodobenzyl cyanide,o-iodophenylacetonitrile,benzeneacetonitrile, 2-iodo,o-iodobenzyl cyanide,acmc-20a7xu,2-iodo-phenylacetonitrile,2-iodo-phenyl-acetonitrile,2-2-iodophenyl ethanenitrile PubChem CID: 4402282 IUPAC Name: 2-(2-iodophenyl)acetonitrile SMILES: C1=CC=C(C(=C1)CC#N)I
| PubChem CID | 4402282 |
|---|---|
| CAS | 40400-15-5 |
| Molecular Weight (g/mol) | 243.047 |
| MDL Number | MFCD00040888 |
| SMILES | C1=CC=C(C(=C1)CC#N)I |
| Synonym | 2-iodophenylacetonitrile,2-2-iodophenyl acetonitrile,2-iodobenzyl cyanide,o-iodophenylacetonitrile,benzeneacetonitrile, 2-iodo,o-iodobenzyl cyanide,acmc-20a7xu,2-iodo-phenylacetonitrile,2-iodo-phenyl-acetonitrile,2-2-iodophenyl ethanenitrile |
| IUPAC Name | 2-(2-iodophenyl)acetonitrile |
| InChI Key | FPSGTRJUQLYLHE-UHFFFAOYSA-N |
| Molecular Formula | C8H6IN |
N-Benzylaminoacetaldehyde diethyl acetal, 96%
CAS: 61190-10-1 Molecular Formula: C13H21NO2 Molecular Weight (g/mol): 223.316 MDL Number: MFCD00051599 InChI Key: SXFVQTYQHWRYOS-UHFFFAOYSA-N Synonym: n-benzylaminoacetaldehyde diethyl acetal,benzyl 2,2-diethoxyethyl amine,n-benzyl-n-2,2-diethoxyethyl amine,2,2-diethoxyethyl benzylamine,acmc-20ak6r,benzylaminoacetaldehyde diethylacetal,benzyl-2,2-diethoxy-ethyl-amine,benzylamino-acetaldehyde diethyl acetal,n-benzyl 2-aminoacetaldehyde diethyl acetal PubChem CID: 521961 IUPAC Name: N-benzyl-2,2-diethoxyethanamine SMILES: CCOC(CNCC1=CC=CC=C1)OCC
| PubChem CID | 521961 |
|---|---|
| CAS | 61190-10-1 |
| Molecular Weight (g/mol) | 223.316 |
| MDL Number | MFCD00051599 |
| SMILES | CCOC(CNCC1=CC=CC=C1)OCC |
| Synonym | n-benzylaminoacetaldehyde diethyl acetal,benzyl 2,2-diethoxyethyl amine,n-benzyl-n-2,2-diethoxyethyl amine,2,2-diethoxyethyl benzylamine,acmc-20ak6r,benzylaminoacetaldehyde diethylacetal,benzyl-2,2-diethoxy-ethyl-amine,benzylamino-acetaldehyde diethyl acetal,n-benzyl 2-aminoacetaldehyde diethyl acetal |
| IUPAC Name | N-benzyl-2,2-diethoxyethanamine |
| InChI Key | SXFVQTYQHWRYOS-UHFFFAOYSA-N |
| Molecular Formula | C13H21NO2 |
4-Fluoro-2-(trifluoromethyl)phenylboronic acid, 97%
CAS: 182344-16-7 Molecular Formula: C7H5BF4O2 Molecular Weight (g/mol): 207.92 MDL Number: MFCD08062379 InChI Key: SWUPLEAGZOKLNX-UHFFFAOYSA-N Synonym: 4-fluoro-2-trifluoromethyl phenyl boronic acid,4-fluoro-2-trifluoromethyl benzeneboronic acid,4-fluoro-2-trifluoromethyl phenylboronic acid,2-borono-5-fluorobenzotrifluoride,boronic acid, 4-fluoro-2-trifluoromethyl phenyl,akos brn-1027,acmc-1byq0,4-fluoro-2-trifluoromethyl-phenylboronic acid,ksc495e5n PubChem CID: 12109469 IUPAC Name: [4-fluoro-2-(trifluoromethyl)phenyl]boronic acid SMILES: OB(O)C1=C(C=C(F)C=C1)C(F)(F)F
| PubChem CID | 12109469 |
|---|---|
| CAS | 182344-16-7 |
| Molecular Weight (g/mol) | 207.92 |
| MDL Number | MFCD08062379 |
| SMILES | OB(O)C1=C(C=C(F)C=C1)C(F)(F)F |
| Synonym | 4-fluoro-2-trifluoromethyl phenyl boronic acid,4-fluoro-2-trifluoromethyl benzeneboronic acid,4-fluoro-2-trifluoromethyl phenylboronic acid,2-borono-5-fluorobenzotrifluoride,boronic acid, 4-fluoro-2-trifluoromethyl phenyl,akos brn-1027,acmc-1byq0,4-fluoro-2-trifluoromethyl-phenylboronic acid,ksc495e5n |
| IUPAC Name | [4-fluoro-2-(trifluoromethyl)phenyl]boronic acid |
| InChI Key | SWUPLEAGZOKLNX-UHFFFAOYSA-N |
| Molecular Formula | C7H5BF4O2 |
Clofibric acid, MP Biomedicals™
CAS: 882-09-7 Molecular Formula: C10H11ClO3 Molecular Weight (g/mol): 214.645 InChI Key: TXCGAZHTZHNUAI-UHFFFAOYSA-N Synonym: clofibric acid,2-4-chlorophenoxy-2-methylpropanoic acid,chlorofibrinic acid,clofibrinic acid,chlorfibrinic acid,clofibrin,chlorophibrinic acid,pcib,2-4-chlorophenoxy-2-methylpropionic acid,clofibrate free acid PubChem CID: 2797 ChEBI: CHEBI:34648 IUPAC Name: 2-(4-chlorophenoxy)-2-methylpropanoic acid SMILES: CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl
| PubChem CID | 2797 |
|---|---|
| CAS | 882-09-7 |
| Molecular Weight (g/mol) | 214.645 |
| ChEBI | CHEBI:34648 |
| SMILES | CC(C)(C(=O)O)OC1=CC=C(C=C1)Cl |
| Synonym | clofibric acid,2-4-chlorophenoxy-2-methylpropanoic acid,chlorofibrinic acid,clofibrinic acid,chlorfibrinic acid,clofibrin,chlorophibrinic acid,pcib,2-4-chlorophenoxy-2-methylpropionic acid,clofibrate free acid |
| IUPAC Name | 2-(4-chlorophenoxy)-2-methylpropanoic acid |
| InChI Key | TXCGAZHTZHNUAI-UHFFFAOYSA-N |
| Molecular Formula | C10H11ClO3 |
4-Bromobenzonitrile, 98+%
CAS: 623-00-7 Molecular Formula: C7H4BrN Molecular Weight (g/mol): 182.02 MDL Number: MFCD00001811 InChI Key: HQSCPPCMBMFJJN-UHFFFAOYSA-N Synonym: p-bromobenzonitrile,benzonitrile, 4-bromo,benzonitrile, p-bromo,1-bromo-4-cyanobenzene,4-bromo benzonitrile,4-cyano-bromobenzene,4-bromo-4'-cyanobenzene,4-cyanobromobenzene,bromobenzonitrile-4,4-bromocyanobenzene PubChem CID: 12162 IUPAC Name: 4-bromobenzonitrile SMILES: BrC1=CC=C(C=C1)C#N
| PubChem CID | 12162 |
|---|---|
| CAS | 623-00-7 |
| Molecular Weight (g/mol) | 182.02 |
| MDL Number | MFCD00001811 |
| SMILES | BrC1=CC=C(C=C1)C#N |
| Synonym | p-bromobenzonitrile,benzonitrile, 4-bromo,benzonitrile, p-bromo,1-bromo-4-cyanobenzene,4-bromo benzonitrile,4-cyano-bromobenzene,4-bromo-4'-cyanobenzene,4-cyanobromobenzene,bromobenzonitrile-4,4-bromocyanobenzene |
| IUPAC Name | 4-bromobenzonitrile |
| InChI Key | HQSCPPCMBMFJJN-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrN |
m-Toluic acid, 99%
CAS: 99-04-7 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002523 InChI Key: GPSDUZXPYCFOSQ-UHFFFAOYSA-N Synonym: m-toluic acid,m-toluylic acid,3-toluic acid,benzoic acid, 3-methyl,meta-toluic acid,m-methylbenzoic acid,beta-methylbenzoic acid,3-methyl-benzoic acid,beta-bethylbenzoic acid,unii-1ua7k8eext PubChem CID: 7418 ChEBI: CHEBI:10589 IUPAC Name: 3-methylbenzoic acid SMILES: CC1=CC=CC(=C1)C(O)=O
| PubChem CID | 7418 |
|---|---|
| CAS | 99-04-7 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:10589 |
| MDL Number | MFCD00002523 |
| SMILES | CC1=CC=CC(=C1)C(O)=O |
| Synonym | m-toluic acid,m-toluylic acid,3-toluic acid,benzoic acid, 3-methyl,meta-toluic acid,m-methylbenzoic acid,beta-methylbenzoic acid,3-methyl-benzoic acid,beta-bethylbenzoic acid,unii-1ua7k8eext |
| IUPAC Name | 3-methylbenzoic acid |
| InChI Key | GPSDUZXPYCFOSQ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
Veratrole, 99%
CAS: 91-16-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00008357 InChI Key: ABDKAPXRBAPSQN-UHFFFAOYSA-N Synonym: veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy PubChem CID: 7043 ChEBI: CHEBI:59114 IUPAC Name: 1,2-dimethoxybenzene SMILES: COC1=CC=CC=C1OC
| PubChem CID | 7043 |
|---|---|
| CAS | 91-16-7 |
| Molecular Weight (g/mol) | 138.166 |
| ChEBI | CHEBI:59114 |
| MDL Number | MFCD00008357 |
| SMILES | COC1=CC=CC=C1OC |
| Synonym | veratrole,veratrol,pyrocatechol dimethyl ether,o-dimethoxybenzene,catechol dimethyl ether,benzene, 1,2-dimethoxy,2-methoxyanisole,o,o-dimethyl catechol,2-dimethoxybenzol,benzene, o-dimethoxy |
| IUPAC Name | 1,2-dimethoxybenzene |
| InChI Key | ABDKAPXRBAPSQN-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
2-Chloro-4-fluoro-1-iodobenzene, 98%
CAS: 101335-11-9 Molecular Formula: C6H3ClFI Molecular Weight (g/mol): 256.44 MDL Number: MFCD00051774 InChI Key: POTCKVPDYXEGSV-UHFFFAOYSA-N Synonym: 2-chloro-4-fluoroiodobenzene,1-chloro-5-fluoro-2-iodobenzene,benzene, 2-chloro-4-fluoro-1-iodo,2-chloro-4-fluoro-1-iodo-benzene,pubchem3434,acmc-1bu0g,ksc494m4h,4-fluoro-2-chloro-iodobenzene,2-chloro-4-fluoro-iodobenzene,2-chloro-4-fluoro-1-iodobenzol PubChem CID: 2736559 IUPAC Name: 2-chloro-4-fluoro-1-iodobenzene SMILES: FC1=CC=C(I)C(Cl)=C1
| PubChem CID | 2736559 |
|---|---|
| CAS | 101335-11-9 |
| Molecular Weight (g/mol) | 256.44 |
| MDL Number | MFCD00051774 |
| SMILES | FC1=CC=C(I)C(Cl)=C1 |
| Synonym | 2-chloro-4-fluoroiodobenzene,1-chloro-5-fluoro-2-iodobenzene,benzene, 2-chloro-4-fluoro-1-iodo,2-chloro-4-fluoro-1-iodo-benzene,pubchem3434,acmc-1bu0g,ksc494m4h,4-fluoro-2-chloro-iodobenzene,2-chloro-4-fluoro-iodobenzene,2-chloro-4-fluoro-1-iodobenzol |
| IUPAC Name | 2-chloro-4-fluoro-1-iodobenzene |
| InChI Key | POTCKVPDYXEGSV-UHFFFAOYSA-N |
| Molecular Formula | C6H3ClFI |
1-Fluoro-4-iodobenzene, 99%
CAS: 352-34-1 Molecular Formula: C6H4FI Molecular Weight (g/mol): 222.00 MDL Number: MFCD00001052 InChI Key: KGNQDBQYEBMPFZ-UHFFFAOYSA-N Synonym: 4-fluoroiodobenzene,p-fluoroiodobenzene,benzene, 1-fluoro-4-iodo,4-iodofluorobenzene,p-iodofluorobenzene,4-fluoro-1-iodobenzene,4-fluoro-iodobenzene,1-fluoro-4-iodo-benzene,1-iodo-4-fluorobenzene,4-fluroiodobenzene PubChem CID: 9605 IUPAC Name: 1-fluoro-4-iodobenzene SMILES: FC1=CC=C(I)C=C1
| PubChem CID | 9605 |
|---|---|
| CAS | 352-34-1 |
| Molecular Weight (g/mol) | 222.00 |
| MDL Number | MFCD00001052 |
| SMILES | FC1=CC=C(I)C=C1 |
| Synonym | 4-fluoroiodobenzene,p-fluoroiodobenzene,benzene, 1-fluoro-4-iodo,4-iodofluorobenzene,p-iodofluorobenzene,4-fluoro-1-iodobenzene,4-fluoro-iodobenzene,1-fluoro-4-iodo-benzene,1-iodo-4-fluorobenzene,4-fluroiodobenzene |
| IUPAC Name | 1-fluoro-4-iodobenzene |
| InChI Key | KGNQDBQYEBMPFZ-UHFFFAOYSA-N |
| Molecular Formula | C6H4FI |