Benzene and substituted derivatives
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3-[(4-Methylpiperazin-1-yl)methyl]benzonitrile, ≥97%, Thermo Scientific™
CAS: 859850-90-1 Molecular Formula: C13H17N3 Molecular Weight (g/mol): 215.30 MDL Number: MFCD07772861 InChI Key: NNYDAONDPGWBRI-UHFFFAOYSA-N Synonym: 3-4-methylpiperazin-1-yl methyl benzonitrile,3-4-methyl-piperazin-1-yl-methyl-benzonitrile,3-4-methyl-piperazin-1-ylmethyl-benzonitrile,3-4-methylpiperazinyl methyl benzenecarbonitrile,benzonitrile,3-4-methyl-1-piperazinyl methyl PubChem CID: 7164647 IUPAC Name: 3-[(4-methylpiperazin-1-yl)methyl]benzonitrile SMILES: CN1CCN(CC2=CC=CC(=C2)C#N)CC1
| PubChem CID | 7164647 |
|---|---|
| CAS | 859850-90-1 |
| Molecular Weight (g/mol) | 215.30 |
| MDL Number | MFCD07772861 |
| SMILES | CN1CCN(CC2=CC=CC(=C2)C#N)CC1 |
| Synonym | 3-4-methylpiperazin-1-yl methyl benzonitrile,3-4-methyl-piperazin-1-yl-methyl-benzonitrile,3-4-methyl-piperazin-1-ylmethyl-benzonitrile,3-4-methylpiperazinyl methyl benzenecarbonitrile,benzonitrile,3-4-methyl-1-piperazinyl methyl |
| IUPAC Name | 3-[(4-methylpiperazin-1-yl)methyl]benzonitrile |
| InChI Key | NNYDAONDPGWBRI-UHFFFAOYSA-N |
| Molecular Formula | C13H17N3 |
3-Aminosalicylic acid, MP Biomedicals™
CAS: 570-23-0 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 InChI Key: IQGMRVWUTCYCST-UHFFFAOYSA-N Synonym: 3-aminosalicylic acid,3-amino salicylic acid,benzoic acid, 3-amino-2-hydroxy,3-amino-2-hydroxy-benzoic acid,2-amino-6-carboxyphenol,salicylic acid, 3-amino,3-carboxy-2-hydroxyaniline,3 or 5-aminosalicylic acid,benzoic acid, amino-2-hydroxy PubChem CID: 68443 IUPAC Name: 3-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C(=C1)N)O)C(=O)O
| PubChem CID | 68443 |
|---|---|
| CAS | 570-23-0 |
| Molecular Weight (g/mol) | 153.137 |
| SMILES | C1=CC(=C(C(=C1)N)O)C(=O)O |
| Synonym | 3-aminosalicylic acid,3-amino salicylic acid,benzoic acid, 3-amino-2-hydroxy,3-amino-2-hydroxy-benzoic acid,2-amino-6-carboxyphenol,salicylic acid, 3-amino,3-carboxy-2-hydroxyaniline,3 or 5-aminosalicylic acid,benzoic acid, amino-2-hydroxy |
| IUPAC Name | 3-amino-2-hydroxybenzoic acid |
| InChI Key | IQGMRVWUTCYCST-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
Cumene Hydroperoxide, 77%, Spectrum™ Chemical
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CAS: 80-15-9 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00002129 InChI Key: YQHLDYVWEZKEOX-UHFFFAOYSA-N IUPAC Name: 2-phenylpropane-2-peroxol SMILES: CC(C)(OO)C1=CC=CC=C1
| CAS | 80-15-9 |
|---|---|
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00002129 |
| SMILES | CC(C)(OO)C1=CC=CC=C1 |
| IUPAC Name | 2-phenylpropane-2-peroxol |
| InChI Key | YQHLDYVWEZKEOX-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
Phenoxybenzamine Hydrochloride, USP, 98-101%, Spectrum™ Chemical
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CAS: 63-92-3 Molecular Formula: C18H23Cl2NO Molecular Weight (g/mol): 340.29 InChI Key: VBCPVIWPDJVHAN-UHFFFAOYNA-N IUPAC Name: hydrogen benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine chloride SMILES: [H+].[Cl-].CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1
| CAS | 63-92-3 |
|---|---|
| Molecular Weight (g/mol) | 340.29 |
| SMILES | [H+].[Cl-].CC(COC1=CC=CC=C1)N(CCCl)CC1=CC=CC=C1 |
| IUPAC Name | hydrogen benzyl(2-chloroethyl)(1-phenoxypropan-2-yl)amine chloride |
| InChI Key | VBCPVIWPDJVHAN-UHFFFAOYNA-N |
| Molecular Formula | C18H23Cl2NO |
Phenoxyethanol, Reagent, 99%, Spectrum™ Chemical
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CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N IUPAC Name: 2-phenoxyethan-1-ol SMILES: OCCOC1=CC=CC=C1
| CAS | 122-99-6 |
|---|---|
| Molecular Weight (g/mol) | 138.17 |
| SMILES | OCCOC1=CC=CC=C1 |
| IUPAC Name | 2-phenoxyethan-1-ol |
| InChI Key | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
Benzenesulfonyl fluoride, 98%
CAS: 368-43-4 Molecular Formula: C6H5FO2S Molecular Weight (g/mol): 160.16 MDL Number: MFCD00007412 InChI Key: IDIPWEYIBKUDNY-UHFFFAOYSA-N Synonym: phenylsulfonyl fluoride,benzenesulphonyl fluoride,benzenesulfonylfluoride,phenylsulfonylfluoride,benzenesulphonylfluoride,fluorophenylsulfone,pubchem14507,acmc-20alq8,wln: wsfr,benzenesulfonyl fluoride PubChem CID: 67779 IUPAC Name: benzenesulfonyl fluoride SMILES: FS(=O)(=O)C1=CC=CC=C1
| PubChem CID | 67779 |
|---|---|
| CAS | 368-43-4 |
| Molecular Weight (g/mol) | 160.16 |
| MDL Number | MFCD00007412 |
| SMILES | FS(=O)(=O)C1=CC=CC=C1 |
| Synonym | phenylsulfonyl fluoride,benzenesulphonyl fluoride,benzenesulfonylfluoride,phenylsulfonylfluoride,benzenesulphonylfluoride,fluorophenylsulfone,pubchem14507,acmc-20alq8,wln: wsfr,benzenesulfonyl fluoride |
| IUPAC Name | benzenesulfonyl fluoride |
| InChI Key | IDIPWEYIBKUDNY-UHFFFAOYSA-N |
| Molecular Formula | C6H5FO2S |
3-(3-Methoxyphenyl)-1H-pyrazole, 97%
CAS: 144026-74-4 Molecular Formula: C10H10N2O Molecular Weight (g/mol): 174.203 MDL Number: MFCD01940432 InChI Key: JAZQIOZMPNVSII-UHFFFAOYSA-N Synonym: 3-3-methoxyphenyl-1h-pyrazole,5-3-methoxyphenyl-1h-pyrazole,1h-pyrazole, 3-3-methoxyphenyl,3-3-methoxyphenyl pyrazole,3-3-methoxy-phenyl-1h-pyrazole,3-3-methoxyphenyl-2h-pyrazole,acmc-20ankv,1-methoxy-3-pyrazol-3-ylbenzene,3-methoxy-1-pyrazol-3-ylbenzene,1h-pyrazole,3-3-methoxyphenyl PubChem CID: 2736766 IUPAC Name: 5-(3-methoxyphenyl)-1H-pyrazole SMILES: COC1=CC=CC(=C1)C2=CC=NN2
| PubChem CID | 2736766 |
|---|---|
| CAS | 144026-74-4 |
| Molecular Weight (g/mol) | 174.203 |
| MDL Number | MFCD01940432 |
| SMILES | COC1=CC=CC(=C1)C2=CC=NN2 |
| Synonym | 3-3-methoxyphenyl-1h-pyrazole,5-3-methoxyphenyl-1h-pyrazole,1h-pyrazole, 3-3-methoxyphenyl,3-3-methoxyphenyl pyrazole,3-3-methoxy-phenyl-1h-pyrazole,3-3-methoxyphenyl-2h-pyrazole,acmc-20ankv,1-methoxy-3-pyrazol-3-ylbenzene,3-methoxy-1-pyrazol-3-ylbenzene,1h-pyrazole,3-3-methoxyphenyl |
| IUPAC Name | 5-(3-methoxyphenyl)-1H-pyrazole |
| InChI Key | JAZQIOZMPNVSII-UHFFFAOYSA-N |
| Molecular Formula | C10H10N2O |
Methyl Salicylate, FCC, 98%, Spectrum™ Chemical
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CAS: 119-36-8 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.15 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O
| CAS | 119-36-8 |
|---|---|
| Molecular Weight (g/mol) | 152.15 |
| SMILES | COC(=O)C1=CC=CC=C1O |
| IUPAC Name | methyl 2-hydroxybenzoate |
| InChI Key | OSWPMRLSEDHDFF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Metoclopramide Hydrochloride, Monohydrate, USP, 98-101%, Spectrum™ Chemical
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CAS: 54143-57-6 Molecular Formula: C14H25Cl2N3O3 Molecular Weight (g/mol): 354.27 MDL Number: MFCD00150634 InChI Key: KJBLQGHJOCAOJP-UHFFFAOYSA-N IUPAC Name: 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrate hydrochloride SMILES: O.Cl.CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC
| CAS | 54143-57-6 |
|---|---|
| Molecular Weight (g/mol) | 354.27 |
| MDL Number | MFCD00150634 |
| SMILES | O.Cl.CCN(CC)CCNC(=O)C1=CC(Cl)=C(N)C=C1OC |
| IUPAC Name | 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide hydrate hydrochloride |
| InChI Key | KJBLQGHJOCAOJP-UHFFFAOYSA-N |
| Molecular Formula | C14H25Cl2N3O3 |
2,4,6-Trifluoroaniline, 98%
CAS: 363-81-5 Molecular Formula: C6H4F3N MDL Number: MFCD00007650 InChI Key: BJSVKBGQDHUBHZ-UHFFFAOYSA-N Synonym: 2-amino-1,3,5-trifluorobenzene,2,4,6-trifluorobenzenamine,benzenamine, 2,4,6-trifluoro,2,4,6-trifluorophenylamine,pubchem2468,acmc-1cmhu,2,4,6 trifluoroaniline,2,4,6-tri-fluoroaniline,2,4,6-trifluoro aniline,2,4,6-trifluoro-aniline PubChem CID: 67765 IUPAC Name: 2,4,6-trifluoroaniline
| PubChem CID | 67765 |
|---|---|
| CAS | 363-81-5 |
| MDL Number | MFCD00007650 |
| Synonym | 2-amino-1,3,5-trifluorobenzene,2,4,6-trifluorobenzenamine,benzenamine, 2,4,6-trifluoro,2,4,6-trifluorophenylamine,pubchem2468,acmc-1cmhu,2,4,6 trifluoroaniline,2,4,6-tri-fluoroaniline,2,4,6-trifluoro aniline,2,4,6-trifluoro-aniline |
| IUPAC Name | 2,4,6-trifluoroaniline |
| InChI Key | BJSVKBGQDHUBHZ-UHFFFAOYSA-N |
| Molecular Formula | C6H4F3N |
Aspirin, USP, 99.5-100.5%, Spectrum™ Chemical
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CAS: 50-78-2 Molecular Formula: C9H8O4 Molecular Weight (g/mol): 180.16 MDL Number: MFCD00002430 InChI Key: BSYNRYMUTXBXSQ-UHFFFAOYSA-N IUPAC Name: 2-(acetyloxy)benzoic acid SMILES: CC(=O)OC1=CC=CC=C1C(O)=O
| CAS | 50-78-2 |
|---|---|
| Molecular Weight (g/mol) | 180.16 |
| MDL Number | MFCD00002430 |
| SMILES | CC(=O)OC1=CC=CC=C1C(O)=O |
| IUPAC Name | 2-(acetyloxy)benzoic acid |
| InChI Key | BSYNRYMUTXBXSQ-UHFFFAOYSA-N |
| Molecular Formula | C9H8O4 |
1,3,5-Trifluorobenzene, 98+%
CAS: 372-38-3 Molecular Formula: C6H3F3 Molecular Weight (g/mol): 132.085 MDL Number: MFCD00000333 InChI Key: JXUKFFRPLNTYIV-UHFFFAOYSA-N Synonym: benzene, 1,3,5-trifluoro,sym-trifluorobenzene,unii-bn94c411f8,pubchem1069,1,5-trifluorobenzene,acmc-209iru,2,4,6-trifluorophenyl,benzene,3,5-trifluoro,1,3,5-tri-fluorobenzene,1,3,5-trifluoro-benzene PubChem CID: 9745 IUPAC Name: 1,3,5-trifluorobenzene SMILES: C1=C(C=C(C=C1F)F)F
| PubChem CID | 9745 |
|---|---|
| CAS | 372-38-3 |
| Molecular Weight (g/mol) | 132.085 |
| MDL Number | MFCD00000333 |
| SMILES | C1=C(C=C(C=C1F)F)F |
| Synonym | benzene, 1,3,5-trifluoro,sym-trifluorobenzene,unii-bn94c411f8,pubchem1069,1,5-trifluorobenzene,acmc-209iru,2,4,6-trifluorophenyl,benzene,3,5-trifluoro,1,3,5-tri-fluorobenzene,1,3,5-trifluoro-benzene |
| IUPAC Name | 1,3,5-trifluorobenzene |
| InChI Key | JXUKFFRPLNTYIV-UHFFFAOYSA-N |
| Molecular Formula | C6H3F3 |
Ethyl 2-fluorophenylacetate, 99%, Thermo Scientific Chemicals
CAS: 584-74-7 Molecular Formula: C10H11FO2 Molecular Weight (g/mol): 182.194 MDL Number: MFCD04039343 InChI Key: OFWMNCYZASDVSS-UHFFFAOYSA-N Synonym: ethyl 2-2-fluorophenyl acetate,ethyl 2-fluorophenylacetate,ethyl 2-fluorophenyl acetate,2-fluorophenylacetic acid ethyl ester,benzeneacetic acid, 2-fluoro-, ethyl ester,acmc-209uz7,ethyl 2-fluorobenzeneacetate PubChem CID: 7578179 IUPAC Name: ethyl 2-(2-fluorophenyl)acetate SMILES: CCOC(=O)CC1=CC=CC=C1F
| PubChem CID | 7578179 |
|---|---|
| CAS | 584-74-7 |
| Molecular Weight (g/mol) | 182.194 |
| MDL Number | MFCD04039343 |
| SMILES | CCOC(=O)CC1=CC=CC=C1F |
| Synonym | ethyl 2-2-fluorophenyl acetate,ethyl 2-fluorophenylacetate,ethyl 2-fluorophenyl acetate,2-fluorophenylacetic acid ethyl ester,benzeneacetic acid, 2-fluoro-, ethyl ester,acmc-209uz7,ethyl 2-fluorobenzeneacetate |
| IUPAC Name | ethyl 2-(2-fluorophenyl)acetate |
| InChI Key | OFWMNCYZASDVSS-UHFFFAOYSA-N |
| Molecular Formula | C10H11FO2 |
Ethyl 3-phenoxypropionate, 98%
CAS: 22409-91-2 Molecular Formula: C11H14O3 Molecular Weight (g/mol): 194.23 MDL Number: MFCD00026919 InChI Key: TXKJOPXGYSFUNC-UHFFFAOYSA-N PubChem CID: 347973 IUPAC Name: ethyl 3-phenoxypropanoate SMILES: CCOC(=O)CCOC1=CC=CC=C1
| PubChem CID | 347973 |
|---|---|
| CAS | 22409-91-2 |
| Molecular Weight (g/mol) | 194.23 |
| MDL Number | MFCD00026919 |
| SMILES | CCOC(=O)CCOC1=CC=CC=C1 |
| IUPAC Name | ethyl 3-phenoxypropanoate |
| InChI Key | TXKJOPXGYSFUNC-UHFFFAOYSA-N |
| Molecular Formula | C11H14O3 |