Benzene and substituted derivatives
Filtered Search Results
2,6-Dimethylnitrobenzene 99.0+%, TCI America™
CAS: 81-20-9 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00007181 InChI Key: HDFQKJQEWGVKCQ-UHFFFAOYSA-N Synonym: 2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134 PubChem CID: 6672 IUPAC Name: 1,3-dimethyl-2-nitrobenzene SMILES: CC1=C(C(=CC=C1)C)[N+](=O)[O-]
| PubChem CID | 6672 |
|---|---|
| CAS | 81-20-9 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00007181 |
| SMILES | CC1=C(C(=CC=C1)C)[N+](=O)[O-] |
| Synonym | 2-nitro-m-xylene,2,6-dimethylnitrobenzene,benzene, 1,3-dimethyl-2-nitro,2,6-dimethyl-1-nitrobenzene,m-xylene, 2-nitro,ccris 3119,1,3-dimethyl-2-nitro-benzene,dsstox_cid_5134,dsstox_rid_77678,dsstox_gsid_25134 |
| IUPAC Name | 1,3-dimethyl-2-nitrobenzene |
| InChI Key | HDFQKJQEWGVKCQ-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
1-Bromo-2,4,5-trifluorobenzene 98.0+%, TCI America™
CAS: 327-52-6 Molecular Formula: C6H2BrF3 Molecular Weight (g/mol): 210.981 MDL Number: MFCD00000306 InChI Key: DVTULTINXNWGJY-UHFFFAOYSA-N Synonym: 2,4,5-trifluorobromobenzene,2-bromo-1,4,5-trifluorobenzene,benzene, 1-bromo-2,4,5-trifluoro,1-bromo-2,4,5-trifluoro-benzene,paragos 390205,5-bromo-1,2,4-trifluorobenzene,fr bf df ee,pubchem2306,acmc-1cs6j,ksc224g3h PubChem CID: 67597 IUPAC Name: 1-bromo-2,4,5-trifluorobenzene SMILES: C1=C(C(=CC(=C1F)Br)F)F
| PubChem CID | 67597 |
|---|---|
| CAS | 327-52-6 |
| Molecular Weight (g/mol) | 210.981 |
| MDL Number | MFCD00000306 |
| SMILES | C1=C(C(=CC(=C1F)Br)F)F |
| Synonym | 2,4,5-trifluorobromobenzene,2-bromo-1,4,5-trifluorobenzene,benzene, 1-bromo-2,4,5-trifluoro,1-bromo-2,4,5-trifluoro-benzene,paragos 390205,5-bromo-1,2,4-trifluorobenzene,fr bf df ee,pubchem2306,acmc-1cs6j,ksc224g3h |
| IUPAC Name | 1-bromo-2,4,5-trifluorobenzene |
| InChI Key | DVTULTINXNWGJY-UHFFFAOYSA-N |
| Molecular Formula | C6H2BrF3 |
trans-Benzalacetone 98.0+%, TCI America™
CAS: 1896-62-4 Molecular Formula: C10H10O Molecular Weight (g/mol): 146.189 MDL Number: MFCD00008779 InChI Key: BWHOZHOGCMHOBV-BQYQJAHWSA-N Synonym: benzalacetone,benzylideneacetone,methyl styryl ketone,4-phenylbut-3-en-2-one,acetocinnamone,4-phenyl-3-buten-2-one,e-4-phenylbut-3-en-2-one,benzylidene acetone,trans-benzalacetone,benzalaceton PubChem CID: 637759 ChEBI: CHEBI:78399 IUPAC Name: (E)-4-phenylbut-3-en-2-one SMILES: CC(=O)C=CC1=CC=CC=C1
| PubChem CID | 637759 |
|---|---|
| CAS | 1896-62-4 |
| Molecular Weight (g/mol) | 146.189 |
| ChEBI | CHEBI:78399 |
| MDL Number | MFCD00008779 |
| SMILES | CC(=O)C=CC1=CC=CC=C1 |
| Synonym | benzalacetone,benzylideneacetone,methyl styryl ketone,4-phenylbut-3-en-2-one,acetocinnamone,4-phenyl-3-buten-2-one,e-4-phenylbut-3-en-2-one,benzylidene acetone,trans-benzalacetone,benzalaceton |
| IUPAC Name | (E)-4-phenylbut-3-en-2-one |
| InChI Key | BWHOZHOGCMHOBV-BQYQJAHWSA-N |
| Molecular Formula | C10H10O |
4-(1,1,3,3-Tetramethylbutyl)phenol 95.0+%, TCI America™
CAS: 140-66-9 Molecular Formula: C14H22O Molecular Weight (g/mol): 206.329 MDL Number: MFCD00002368 InChI Key: ISAVYTVYFVQUDY-UHFFFAOYSA-N Synonym: 4-tert-octylphenol,p-tert-octylphenol,4-t-octylphenol,4-1,1,3,3-tetramethylbutyl phenol,4-2,4,4-trimethylpentan-2-yl phenol,p-terc.oktylfenol,para-tert-octylphenol,p-1,1,3,3-tetramethylbutyl phenol,phenol, 4-1,1,3,3-tetramethylbutyl,phenol, p-tert-octyl PubChem CID: 8814 ChEBI: CHEBI:34445 IUPAC Name: 4-(2,4,4-trimethylpentan-2-yl)phenol SMILES: CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O
| PubChem CID | 8814 |
|---|---|
| CAS | 140-66-9 |
| Molecular Weight (g/mol) | 206.329 |
| ChEBI | CHEBI:34445 |
| MDL Number | MFCD00002368 |
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)O |
| Synonym | 4-tert-octylphenol,p-tert-octylphenol,4-t-octylphenol,4-1,1,3,3-tetramethylbutyl phenol,4-2,4,4-trimethylpentan-2-yl phenol,p-terc.oktylfenol,para-tert-octylphenol,p-1,1,3,3-tetramethylbutyl phenol,phenol, 4-1,1,3,3-tetramethylbutyl,phenol, p-tert-octyl |
| IUPAC Name | 4-(2,4,4-trimethylpentan-2-yl)phenol |
| InChI Key | ISAVYTVYFVQUDY-UHFFFAOYSA-N |
| Molecular Formula | C14H22O |
Benzoic Acid 99.0+%, TCI America™
CAS: 65-85-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00002398 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Synonym: benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv PubChem CID: 243 ChEBI: CHEBI:30746 IUPAC Name: benzoic acid SMILES: C1=CC=C(C=C1)C(=O)O
| PubChem CID | 243 |
|---|---|
| CAS | 65-85-0 |
| Molecular Weight (g/mol) | 122.123 |
| ChEBI | CHEBI:30746 |
| MDL Number | MFCD00002398 |
| SMILES | C1=CC=C(C=C1)C(=O)O |
| Synonym | benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv |
| IUPAC Name | benzoic acid |
| InChI Key | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
4-Methyl-N-tosylbenzenesulfonamide 98.0+%, TCI America™
CAS: 3695-00-9 Molecular Formula: C14H15NO4S2 Molecular Weight (g/mol): 325.397 MDL Number: MFCD00014917 InChI Key: LHWZLUXODWUHLZ-UHFFFAOYSA-N Synonym: bis p-tolylsulfonyl amine,di-p-toluenesulfonamide,ditosylamine,di-p-toluenesulfonimide,bis 4-methylbenzenesulfon amine,benzenesulfonamide, 4-methyl-n-4-methylphenyl sulfonyl,4-methyl-n-tosylbenzenesulfonamide,4-methyl-n-4-methylphenyl sulfonyl benzenesulfonamide PubChem CID: 77279 IUPAC Name: 4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=C(C=C2)C
| PubChem CID | 77279 |
|---|---|
| CAS | 3695-00-9 |
| Molecular Weight (g/mol) | 325.397 |
| MDL Number | MFCD00014917 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=C(C=C2)C |
| Synonym | bis p-tolylsulfonyl amine,di-p-toluenesulfonamide,ditosylamine,di-p-toluenesulfonimide,bis 4-methylbenzenesulfon amine,benzenesulfonamide, 4-methyl-n-4-methylphenyl sulfonyl,4-methyl-n-tosylbenzenesulfonamide,4-methyl-n-4-methylphenyl sulfonyl benzenesulfonamide |
| IUPAC Name | 4-methyl-N-(4-methylphenyl)sulfonylbenzenesulfonamide |
| InChI Key | LHWZLUXODWUHLZ-UHFFFAOYSA-N |
| Molecular Formula | C14H15NO4S2 |
Salicylanilide 98.0+%, TCI America™
CAS: 87-17-2 Molecular Formula: C13H11NO2 Molecular Weight (g/mol): 213.24 MDL Number: MFCD00002212 InChI Key: WKEDVNSFRWHDNR-UHFFFAOYSA-N Synonym: salicylanilide,n-phenylsalicylamide,salinide,salicylanilid,salifebrin,salinidol,ansadol,salicylic acid anilide,salnide,benzamide, 2-hydroxy-n-phenyl PubChem CID: 6872 ChEBI: CHEBI:239133 IUPAC Name: 2-hydroxy-N-phenylbenzamide SMILES: OC1=CC=CC=C1C(=O)NC1=CC=CC=C1
| PubChem CID | 6872 |
|---|---|
| CAS | 87-17-2 |
| Molecular Weight (g/mol) | 213.24 |
| ChEBI | CHEBI:239133 |
| MDL Number | MFCD00002212 |
| SMILES | OC1=CC=CC=C1C(=O)NC1=CC=CC=C1 |
| Synonym | salicylanilide,n-phenylsalicylamide,salinide,salicylanilid,salifebrin,salinidol,ansadol,salicylic acid anilide,salnide,benzamide, 2-hydroxy-n-phenyl |
| IUPAC Name | 2-hydroxy-N-phenylbenzamide |
| InChI Key | WKEDVNSFRWHDNR-UHFFFAOYSA-N |
| Molecular Formula | C13H11NO2 |
4-Ethylbenzaldehyde 98.0+%, TCI America™
CAS: 4748-78-1 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00006956 InChI Key: QNGNSVIICDLXHT-UHFFFAOYSA-N Synonym: p-ethylbenzaldehyde,benzaldehyde, 4-ethyl,4-ethyl benzaldehyde,4-ethyl-benzaldehyde,ebal,ethyl benzaldehyde,ethyl-benzaldehyde,unii-289ppw3sg4,benzaldehyde,4-ethyl,ethylbenzaldehyde, p PubChem CID: 20861 IUPAC Name: 4-ethylbenzaldehyde SMILES: CCC1=CC=C(C=C1)C=O
| PubChem CID | 20861 |
|---|---|
| CAS | 4748-78-1 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00006956 |
| SMILES | CCC1=CC=C(C=C1)C=O |
| Synonym | p-ethylbenzaldehyde,benzaldehyde, 4-ethyl,4-ethyl benzaldehyde,4-ethyl-benzaldehyde,ebal,ethyl benzaldehyde,ethyl-benzaldehyde,unii-289ppw3sg4,benzaldehyde,4-ethyl,ethylbenzaldehyde, p |
| IUPAC Name | 4-ethylbenzaldehyde |
| InChI Key | QNGNSVIICDLXHT-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
4-Aminobenzoic Acid 99.0+%, TCI America™
CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O
| PubChem CID | 978 |
|---|---|
| CAS | 150-13-0 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:30753 |
| MDL Number | MFCD00007894 |
| SMILES | NC1=CC=C(C=C1)C(O)=O |
| Synonym | p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino |
| IUPAC Name | 4-aminobenzoic acid |
| InChI Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
5-Amino-2,4,6-triiodoisophthaloyl Dichloride 98.0+%, TCI America™
CAS: 37441-29-5 Molecular Formula: C8H2Cl2I3NO2 Molecular Weight (g/mol): 595.722 MDL Number: MFCD00270836 InChI Key: FBJVWRITWDYUAC-UHFFFAOYSA-N PubChem CID: 9894858 IUPAC Name: 5-amino-2,4,6-triiodobenzene-1,3-dicarbonyl chloride SMILES: C1(=C(C(=C(C(=C1I)N)I)C(=O)Cl)I)C(=O)Cl
| PubChem CID | 9894858 |
|---|---|
| CAS | 37441-29-5 |
| Molecular Weight (g/mol) | 595.722 |
| MDL Number | MFCD00270836 |
| SMILES | C1(=C(C(=C(C(=C1I)N)I)C(=O)Cl)I)C(=O)Cl |
| IUPAC Name | 5-amino-2,4,6-triiodobenzene-1,3-dicarbonyl chloride |
| InChI Key | FBJVWRITWDYUAC-UHFFFAOYSA-N |
| Molecular Formula | C8H2Cl2I3NO2 |
1-Iodo-4-nitrobenzene 99.0+%, TCI America™
CAS: 636-98-6 Molecular Formula: C6H4INO2 Molecular Weight (g/mol): 249.007 MDL Number: MFCD00007299 InChI Key: SCCCFNJTCDSLCY-UHFFFAOYSA-N Synonym: benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene PubChem CID: 12495 IUPAC Name: 1-iodo-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])I
| PubChem CID | 12495 |
|---|---|
| CAS | 636-98-6 |
| Molecular Weight (g/mol) | 249.007 |
| MDL Number | MFCD00007299 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])I |
| Synonym | benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene |
| IUPAC Name | 1-iodo-4-nitrobenzene |
| InChI Key | SCCCFNJTCDSLCY-UHFFFAOYSA-N |
| Molecular Formula | C6H4INO2 |
2-Ethylhexyl 2-Cyano-3,3-diphenylacrylate 98.0+%, TCI America™
CAS: 6197-30-4 Molecular Formula: C24H27NO2 Molecular Weight (g/mol): 361.49 MDL Number: MFCD00059260 InChI Key: FMJSMJQBSVNSBF-UHFFFAOYNA-N Synonym: 2-Cyano-3,3-diphenylacrylic Acid 2-Ethylhexyl Ester, Octyl 2-Cyano-3,3-diphenylacrylate PubChem CID: 22571 IUPAC Name: 2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate SMILES: CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 22571 |
|---|---|
| CAS | 6197-30-4 |
| Molecular Weight (g/mol) | 361.49 |
| MDL Number | MFCD00059260 |
| SMILES | CCCCC(CC)COC(=O)C(C#N)=C(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 2-Cyano-3,3-diphenylacrylic Acid 2-Ethylhexyl Ester, Octyl 2-Cyano-3,3-diphenylacrylate |
| IUPAC Name | 2-ethylhexyl 2-cyano-3,3-diphenylprop-2-enoate |
| InChI Key | FMJSMJQBSVNSBF-UHFFFAOYNA-N |
| Molecular Formula | C24H27NO2 |
[Bis(trifluoroacetoxy)iodo]pentafluorobenzene 97.0+%, TCI America™
CAS: 14353-88-9 Molecular Formula: C10F11IO4 Molecular Weight (g/mol): 519.99 MDL Number: MFCD00191612 InChI Key: OQWAXRPJEPTTSZ-UHFFFAOYSA-N Synonym: Pentafluoro[bis(trifluoroacetoxy)iodo]benzene PubChem CID: 626316 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)[(2,2,2-trifluoroacetyl)oxy]-λ³-iodanyl 2,2,2-trifluoroacetate SMILES: FC1=C(F)C(F)=C([I](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)=C1F
| PubChem CID | 626316 |
|---|---|
| CAS | 14353-88-9 |
| Molecular Weight (g/mol) | 519.99 |
| MDL Number | MFCD00191612 |
| SMILES | FC1=C(F)C(F)=C([I](OC(=O)C(F)(F)F)OC(=O)C(F)(F)F)C(F)=C1F |
| Synonym | Pentafluoro[bis(trifluoroacetoxy)iodo]benzene |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)[(2,2,2-trifluoroacetyl)oxy]-λ³-iodanyl 2,2,2-trifluoroacetate |
| InChI Key | OQWAXRPJEPTTSZ-UHFFFAOYSA-N |
| Molecular Formula | C10F11IO4 |
1,2-Dimethoxybenzene 99.0+%, TCI America™
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 |
Isopropyl 4-Hydroxybenzoate 99.0+%, TCI America™
CAS: 4191-73-5 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.20 MDL Number: MFCD00016468 InChI Key: CMHMMKSPYOOVGI-UHFFFAOYSA-N Synonym: isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester PubChem CID: 20161 IUPAC Name: propan-2-yl 4-hydroxybenzoate SMILES: CC(C)OC(=O)C1=CC=C(O)C=C1
| PubChem CID | 20161 |
|---|---|
| CAS | 4191-73-5 |
| Molecular Weight (g/mol) | 180.20 |
| MDL Number | MFCD00016468 |
| SMILES | CC(C)OC(=O)C1=CC=C(O)C=C1 |
| Synonym | isopropyl 4-hydroxybenzoate,isopropylparaben,isopropyl p-hydroxybenzoate,isopropyl paraben,p-hydroxybenzoic acid isopropyl ester,isopropylhydroxybenzoate,unii-a6eox47qk0,p-oxybenzoesaureisopropylester,4-hydroxybenzoic acid isopropyl ester,benzoic acid, 4-hydroxy-, 1-methylethyl ester |
| IUPAC Name | propan-2-yl 4-hydroxybenzoate |
| InChI Key | CMHMMKSPYOOVGI-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |