Benzene and substituted derivatives
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3-(Trifluoromethyl)benzaldehyde, 97%
CAS: 454-89-7 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.12 MDL Number: MFCD00003373 InChI Key: NMTUHPSKJJYGML-UHFFFAOYSA-N Synonym: 3-trifluoromethyl benzaldehyde,m-trifluoromethylbenzaldehyde,benzaldehyde, 3-trifluoromethyl,alpha,alpha,alpha-trifluoro-m-tolualdehyde,alpha,alpha,alpha-trifluoro-3-tolualdehyde,unii-at7h4h5u3e,a,a,a-trifluoro-m-tolualdehyde,3-trifluoromethyl-benzaldehyde,mtf-bad,3-formylbenzotrifluoride PubChem CID: 67990 IUPAC Name: 3-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=CC(=C1)C(F)(F)F)C=O
| PubChem CID | 67990 |
|---|---|
| CAS | 454-89-7 |
| Molecular Weight (g/mol) | 174.12 |
| MDL Number | MFCD00003373 |
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C=O |
| Synonym | 3-trifluoromethyl benzaldehyde,m-trifluoromethylbenzaldehyde,benzaldehyde, 3-trifluoromethyl,alpha,alpha,alpha-trifluoro-m-tolualdehyde,alpha,alpha,alpha-trifluoro-3-tolualdehyde,unii-at7h4h5u3e,a,a,a-trifluoro-m-tolualdehyde,3-trifluoromethyl-benzaldehyde,mtf-bad,3-formylbenzotrifluoride |
| IUPAC Name | 3-(trifluoromethyl)benzaldehyde |
| InChI Key | NMTUHPSKJJYGML-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O |
2,3,4-Trimethoxybenzaldehyde, 99%
CAS: 2103-57-3 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.2 MDL Number: MFCD00003310 InChI Key: UCTUXUGXIFRVGX-UHFFFAOYSA-N Synonym: trimethoxybenzaldehyde,benzaldehyde, 2,3,4-trimethoxy,2,3,4-trimethoxy-benzaldehyde,benzaldehyde, trimethoxy,2,3,4 trimethoxybenzylaldehyde,pubchem8261,trimethoxy benzaldehyde,trimetazidine impurity c,acmc-1b07v,ksc201q5r PubChem CID: 75006 IUPAC Name: 2,3,4-trimethoxybenzaldehyde SMILES: COC1=C(C(=C(C=C1)C=O)OC)OC
| PubChem CID | 75006 |
|---|---|
| CAS | 2103-57-3 |
| Molecular Weight (g/mol) | 196.2 |
| MDL Number | MFCD00003310 |
| SMILES | COC1=C(C(=C(C=C1)C=O)OC)OC |
| Synonym | trimethoxybenzaldehyde,benzaldehyde, 2,3,4-trimethoxy,2,3,4-trimethoxy-benzaldehyde,benzaldehyde, trimethoxy,2,3,4 trimethoxybenzylaldehyde,pubchem8261,trimethoxy benzaldehyde,trimetazidine impurity c,acmc-1b07v,ksc201q5r |
| IUPAC Name | 2,3,4-trimethoxybenzaldehyde |
| InChI Key | UCTUXUGXIFRVGX-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
1-(Phenylsulfonyl)-1H-pyrrole, 97%, Thermo Scientific™
CAS: 16851-82-4 Molecular Formula: C10H9NO2S Molecular Weight (g/mol): 207.25 MDL Number: MFCD00067739 InChI Key: PPPXRIUHKCOOMU-UHFFFAOYSA-N Synonym: 1-phenylsulfonyl pyrrole,1-phenylsulfonyl-1h-pyrrole,n-benzenesulphonylpyrrole,1-benzenesulfonyl pyrrole,n-benzenesulfonylpyrrole,1-benzenesulfonyl-1h-pyrrole,n-phenylsulfonylpyrrole,phenylsulfonyl pyrrole,1h-pyrrole,1-phenylsulfonyl,1h-pyrrole, 1-phenylsulfonyl PubChem CID: 140146 IUPAC Name: 1-(benzenesulfonyl)pyrrole SMILES: O=S(=O)(N1C=CC=C1)C1=CC=CC=C1
| PubChem CID | 140146 |
|---|---|
| CAS | 16851-82-4 |
| Molecular Weight (g/mol) | 207.25 |
| MDL Number | MFCD00067739 |
| SMILES | O=S(=O)(N1C=CC=C1)C1=CC=CC=C1 |
| Synonym | 1-phenylsulfonyl pyrrole,1-phenylsulfonyl-1h-pyrrole,n-benzenesulphonylpyrrole,1-benzenesulfonyl pyrrole,n-benzenesulfonylpyrrole,1-benzenesulfonyl-1h-pyrrole,n-phenylsulfonylpyrrole,phenylsulfonyl pyrrole,1h-pyrrole,1-phenylsulfonyl,1h-pyrrole, 1-phenylsulfonyl |
| IUPAC Name | 1-(benzenesulfonyl)pyrrole |
| InChI Key | PPPXRIUHKCOOMU-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO2S |
2,2',4,4'-Tetrahydroxybenzophenone, 98+%
CAS: 131-55-5 Molecular Formula: C13H10O5 Molecular Weight (g/mol): 246.218 MDL Number: MFCD00002278 InChI Key: WXNRYSGJLQFHBR-UHFFFAOYSA-N Synonym: 2,2',4,4'-tetrahydroxybenzophenone,bis 2,4-dihydroxyphenyl methanone,benzophenone-2,uvinol d-50,uvinul d-50,methanone, bis 2,4-dihydroxyphenyl,2,4,2',4'-tetrahydroxybenzophenone,unii-prr8k3h9vn,2,2',4,4'-tetrehydroxybenzophenone,prr8k3h9vn PubChem CID: 8571 IUPAC Name: bis(2,4-dihydroxyphenyl)methanone SMILES: C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O
| PubChem CID | 8571 |
|---|---|
| CAS | 131-55-5 |
| Molecular Weight (g/mol) | 246.218 |
| MDL Number | MFCD00002278 |
| SMILES | C1=CC(=C(C=C1O)O)C(=O)C2=C(C=C(C=C2)O)O |
| Synonym | 2,2',4,4'-tetrahydroxybenzophenone,bis 2,4-dihydroxyphenyl methanone,benzophenone-2,uvinol d-50,uvinul d-50,methanone, bis 2,4-dihydroxyphenyl,2,4,2',4'-tetrahydroxybenzophenone,unii-prr8k3h9vn,2,2',4,4'-tetrehydroxybenzophenone,prr8k3h9vn |
| IUPAC Name | bis(2,4-dihydroxyphenyl)methanone |
| InChI Key | WXNRYSGJLQFHBR-UHFFFAOYSA-N |
| Molecular Formula | C13H10O5 |
1,3-Dioxolane, 99.8%, anhydrous, stabilized with 75 ppm BHT, AcroSeal™
CAS: 646-06-0 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 InChI Key: WNXJIVFYUVYPPR-UHFFFAOYSA-N Synonym: dioxolane,glycolformal,formal glycol,1,3-dioxolan,1,3-dioxacyclopentane,1,3-dioxalane,ethylene glycol formal,glycol methylene ether,glycol formal,dioxolan czech PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
| PubChem CID | 31404 |
|---|---|
| CAS | 646-06-0 |
| Molecular Weight (g/mol) | 74.08 |
| ChEBI | CHEBI:34247 |
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| Synonym | dioxolane,glycolformal,formal glycol,1,3-dioxolan,1,3-dioxacyclopentane,1,3-dioxalane,ethylene glycol formal,glycol methylene ether,glycol formal,dioxolan czech |
| IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
| InChI Key | WNXJIVFYUVYPPR-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2 |
Bromopentafluorobenzene, 99%
CAS: 344-04-7 Molecular Formula: C6BrF5 Molecular Weight (g/mol): 246.96 MDL Number: MFCD00000287 InChI Key: XEKTVXADUPBFOA-UHFFFAOYSA-N Synonym: bromopentafluorobenzene,pentafluorobromobenzene,benzene, bromopentafluoro,bromoperfluorobenzene,pentafluorophenyl bromide,2,3,4,5,6-pentafluorobromobenzene,benzene, 1-bromo-2,3,4,5,6-pentafluoro,1-bromo-pentafluorobenzene,2,3,4,5,6-bromopentafluorobenzene,1-bromo-2,3,4,5,6-pentafluoro-benzene PubChem CID: 9578 IUPAC Name: 1-bromo-2,3,4,5,6-pentafluorobenzene SMILES: FC1=C(F)C(F)=C(Br)C(F)=C1F
| PubChem CID | 9578 |
|---|---|
| CAS | 344-04-7 |
| Molecular Weight (g/mol) | 246.96 |
| MDL Number | MFCD00000287 |
| SMILES | FC1=C(F)C(F)=C(Br)C(F)=C1F |
| Synonym | bromopentafluorobenzene,pentafluorobromobenzene,benzene, bromopentafluoro,bromoperfluorobenzene,pentafluorophenyl bromide,2,3,4,5,6-pentafluorobromobenzene,benzene, 1-bromo-2,3,4,5,6-pentafluoro,1-bromo-pentafluorobenzene,2,3,4,5,6-bromopentafluorobenzene,1-bromo-2,3,4,5,6-pentafluoro-benzene |
| IUPAC Name | 1-bromo-2,3,4,5,6-pentafluorobenzene |
| InChI Key | XEKTVXADUPBFOA-UHFFFAOYSA-N |
| Molecular Formula | C6BrF5 |
1,3-Diiodobenzene, 98%
CAS: 626-00-6 Molecular Formula: C6H4I2 Molecular Weight (g/mol): 329.9 MDL Number: MFCD00041731 InChI Key: SFPQFQUXAJOWNF-UHFFFAOYSA-N Synonym: m-diiodobenzene,benzene, 1,3-diiodo,benzene, m-diiodo,pubchem3833,1,3-di iodo benzene,1,3-diiodobenzene,acmc-1b21u,ksc358c5j,1,3-diiodo-benzen;benzene, 1,3-diiodo-;benzene, m-diiodo-;benzene,1,3-diiodo-;benzene,m-diiodo PubChem CID: 12270 IUPAC Name: 1,3-diiodobenzene SMILES: C1=CC(=CC(=C1)I)I
| PubChem CID | 12270 |
|---|---|
| CAS | 626-00-6 |
| Molecular Weight (g/mol) | 329.9 |
| MDL Number | MFCD00041731 |
| SMILES | C1=CC(=CC(=C1)I)I |
| Synonym | m-diiodobenzene,benzene, 1,3-diiodo,benzene, m-diiodo,pubchem3833,1,3-di iodo benzene,1,3-diiodobenzene,acmc-1b21u,ksc358c5j,1,3-diiodo-benzen;benzene, 1,3-diiodo-;benzene, m-diiodo-;benzene,1,3-diiodo-;benzene,m-diiodo |
| IUPAC Name | 1,3-diiodobenzene |
| InChI Key | SFPQFQUXAJOWNF-UHFFFAOYSA-N |
| Molecular Formula | C6H4I2 |
3-Methoxybenzylamine, 97%
CAS: 5071-96-5 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.18 MDL Number: MFCD00008115 InChI Key: GRRIMVWABNHKBX-UHFFFAOYSA-N Synonym: 3-methoxybenzylamine,m-methoxybenzylamine,3-methoxyphenyl methanamine,1-3-methoxyphenyl methanamine,benzenemethanamine, 3-methoxy,3-methoxyphenyl methylamine,benzylamine, m-methoxy,methoxybenzylamine, 3,benzenemethanamine, 3-methoxy-9ci,sz4 PubChem CID: 21156 IUPAC Name: (3-methoxyphenyl)methanamine SMILES: COC1=CC=CC(CN)=C1
| PubChem CID | 21156 |
|---|---|
| CAS | 5071-96-5 |
| Molecular Weight (g/mol) | 137.18 |
| MDL Number | MFCD00008115 |
| SMILES | COC1=CC=CC(CN)=C1 |
| Synonym | 3-methoxybenzylamine,m-methoxybenzylamine,3-methoxyphenyl methanamine,1-3-methoxyphenyl methanamine,benzenemethanamine, 3-methoxy,3-methoxyphenyl methylamine,benzylamine, m-methoxy,methoxybenzylamine, 3,benzenemethanamine, 3-methoxy-9ci,sz4 |
| IUPAC Name | (3-methoxyphenyl)methanamine |
| InChI Key | GRRIMVWABNHKBX-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
2-Hydroxy-4-nitrobenzoic acid, 97%
CAS: 619-19-2 Molecular Formula: C7H5NO5 Molecular Weight (g/mol): 183.12 MDL Number: MFCD00071505 InChI Key: UKWUOTZGXIZAJC-UHFFFAOYSA-N Synonym: 4-nitrosalicylic acid,2-hydroxy-4-nitrobenzoic acid,benzoic acid, 2-hydroxy-4-nitro,4-nitro-2-hydroxybenzoic acid,p-nitrosalicylic acid,salicylic acid, 4-nitro,4-nitro-salicylsaure,4-nitro-salicylsaure german,2-hydroxy-4-nitro-benzoic acid,p-nitrosalicylsaure PubChem CID: 69266 IUPAC Name: 2-hydroxy-4-nitrobenzoic acid SMILES: OC(=O)C1=CC=C(C=C1O)[N+]([O-])=O
| PubChem CID | 69266 |
|---|---|
| CAS | 619-19-2 |
| Molecular Weight (g/mol) | 183.12 |
| MDL Number | MFCD00071505 |
| SMILES | OC(=O)C1=CC=C(C=C1O)[N+]([O-])=O |
| Synonym | 4-nitrosalicylic acid,2-hydroxy-4-nitrobenzoic acid,benzoic acid, 2-hydroxy-4-nitro,4-nitro-2-hydroxybenzoic acid,p-nitrosalicylic acid,salicylic acid, 4-nitro,4-nitro-salicylsaure,4-nitro-salicylsaure german,2-hydroxy-4-nitro-benzoic acid,p-nitrosalicylsaure |
| IUPAC Name | 2-hydroxy-4-nitrobenzoic acid |
| InChI Key | UKWUOTZGXIZAJC-UHFFFAOYSA-N |
| Molecular Formula | C7H5NO5 |
Methyl 2-aminopyridine-4-carboxylate, 98%
CAS: 6937-03-7 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD04039316 InChI Key: SVWWNEYBEFASMP-UHFFFAOYSA-N IUPAC Name: methyl 2-aminopyridine-4-carboxylate
| CAS | 6937-03-7 |
|---|---|
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD04039316 |
| IUPAC Name | methyl 2-aminopyridine-4-carboxylate |
| InChI Key | SVWWNEYBEFASMP-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
4-Fluorophenylacetone, 99%
CAS: 459-03-0 Molecular Formula: C9H9FO Molecular Weight (g/mol): 152.17 MDL Number: MFCD00000362 InChI Key: ZUEKIIWSVFBTCM-UHFFFAOYSA-N Synonym: 4-fluorophenylacetone,4-fluorophenyl acetone,1-4-fluorophenyl propan-2-one,1-4-fluorophenyl acetone,1-4-fluorophenyl-2-propanone,2-propanone, 1-4-fluorophenyl,p-fluorophenyl acetone,1-acetonyl-4-fluorobenzene,1-4-fluoro-phenyl-propan-2-one PubChem CID: 521187 IUPAC Name: 1-(4-fluorophenyl)propan-2-one SMILES: CC(=O)CC1=CC=C(F)C=C1
| PubChem CID | 521187 |
|---|---|
| CAS | 459-03-0 |
| Molecular Weight (g/mol) | 152.17 |
| MDL Number | MFCD00000362 |
| SMILES | CC(=O)CC1=CC=C(F)C=C1 |
| Synonym | 4-fluorophenylacetone,4-fluorophenyl acetone,1-4-fluorophenyl propan-2-one,1-4-fluorophenyl acetone,1-4-fluorophenyl-2-propanone,2-propanone, 1-4-fluorophenyl,p-fluorophenyl acetone,1-acetonyl-4-fluorobenzene,1-4-fluoro-phenyl-propan-2-one |
| IUPAC Name | 1-(4-fluorophenyl)propan-2-one |
| InChI Key | ZUEKIIWSVFBTCM-UHFFFAOYSA-N |
| Molecular Formula | C9H9FO |
Magnesium salicylate tetrahydrate, tech.
CAS: 18917-95-8 Molecular Formula: C14H18MgO10 Molecular Weight (g/mol): 370.59 MDL Number: MFCD01766176,MFCD00045815 InChI Key: NBQBEWAYWAMLJJ-UHFFFAOYSA-L Synonym: magnesium salicylate PubChem CID: 131674114 IUPAC Name: magnesium;2-hydroxybenzoic acid;2-oxidobenzoate;hydrate SMILES: O.O.O.O.[Mg++].OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O
| PubChem CID | 131674114 |
|---|---|
| CAS | 18917-95-8 |
| Molecular Weight (g/mol) | 370.59 |
| MDL Number | MFCD01766176,MFCD00045815 |
| SMILES | O.O.O.O.[Mg++].OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O |
| Synonym | magnesium salicylate |
| IUPAC Name | magnesium;2-hydroxybenzoic acid;2-oxidobenzoate;hydrate |
| InChI Key | NBQBEWAYWAMLJJ-UHFFFAOYSA-L |
| Molecular Formula | C14H18MgO10 |
4-Hydroxybenzylamine hydrate, 97%
CAS: 696-60-6 Molecular Formula: C7H9NO Molecular Weight (g/mol): 123.16 MDL Number: MFCD19690971 InChI Key: RQJDUEKERVZLLU-UHFFFAOYSA-N Synonym: 4-hydroxybenzylamine,4-aminomethyl phenol,4-aminomethyl-phenol,para-hydroxybenzylamine,unii-7j7f85b7bi,4-hydroxyphenyl methanaminium bromide,a-amino-p-cresol,4-hyroxybenzylamine,p-hydroxybenzylamine,4-hydroxylbenzylamine PubChem CID: 97472 IUPAC Name: 4-(aminomethyl)phenol SMILES: NCC1=CC=C(O)C=C1
| PubChem CID | 97472 |
|---|---|
| CAS | 696-60-6 |
| Molecular Weight (g/mol) | 123.16 |
| MDL Number | MFCD19690971 |
| SMILES | NCC1=CC=C(O)C=C1 |
| Synonym | 4-hydroxybenzylamine,4-aminomethyl phenol,4-aminomethyl-phenol,para-hydroxybenzylamine,unii-7j7f85b7bi,4-hydroxyphenyl methanaminium bromide,a-amino-p-cresol,4-hyroxybenzylamine,p-hydroxybenzylamine,4-hydroxylbenzylamine |
| IUPAC Name | 4-(aminomethyl)phenol |
| InChI Key | RQJDUEKERVZLLU-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO |
| CAS | 3724-10-5 |
|---|---|
| MDL Number | MFCD00029934 |
Allyltriphenylphosphonium chloride, 99%
CAS: 18480-23-4 Molecular Formula: C21H20ClP Molecular Weight (g/mol): 338.81 MDL Number: MFCD00031542 InChI Key: FKMJROWWQOJRJX-UHFFFAOYSA-M Synonym: allyltriphenylphosphonium chloride,allyl triphenylphosphonium chloride,triphenyl prop-2-enyl phosphanium chloride,triphenyl prop-2-en-1-yl phosphanium chloride,acmc-1buz2,allyltriphenylphosphoniumchloride,triphenyl prop-2-enyl phosphonium chloride,phosphonium,triphenyl-2-propen-1-yl-, chloride 1:1 PubChem CID: 2734120 SMILES: [Cl-].C=CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2734120 |
|---|---|
| CAS | 18480-23-4 |
| Molecular Weight (g/mol) | 338.81 |
| MDL Number | MFCD00031542 |
| SMILES | [Cl-].C=CC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | allyltriphenylphosphonium chloride,allyl triphenylphosphonium chloride,triphenyl prop-2-enyl phosphanium chloride,triphenyl prop-2-en-1-yl phosphanium chloride,acmc-1buz2,allyltriphenylphosphoniumchloride,triphenyl prop-2-enyl phosphonium chloride,phosphonium,triphenyl-2-propen-1-yl-, chloride 1:1 |
| InChI Key | FKMJROWWQOJRJX-UHFFFAOYSA-M |
| Molecular Formula | C21H20ClP |