Benzenoids
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Methyl Isovanillate 98.0+%, TCI America™
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CAS: 6702-50-7 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD01321262 InChI Key: QXOXUEFXRSIYSW-UHFFFAOYSA-N Synonym: methyl isovanillate,methyl 3-hydroxy-4-methoxybenzenecarboxylate,3-hydroxy-4-methoxybenzoic acid methyl ester,isovanillic acid methyl ester,methyl-3-hydroxy-4-methoxybenzoate,methyl 3-hydroxy-4-methoxy-benzoate,benzoic acid, 3-hydroxy-4-methoxy-, methyl ester,methyl 3-hydroxy-4-methoxy benzoate,isovamllic acid methyl ester,ksc496e5l PubChem CID: 4056967 IUPAC Name: methyl 3-hydroxy-4-methoxybenzoate SMILES: COC(=O)C1=CC(O)=C(OC)C=C1
| PubChem CID | 4056967 |
|---|---|
| CAS | 6702-50-7 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD01321262 |
| SMILES | COC(=O)C1=CC(O)=C(OC)C=C1 |
| Synonym | methyl isovanillate,methyl 3-hydroxy-4-methoxybenzenecarboxylate,3-hydroxy-4-methoxybenzoic acid methyl ester,isovanillic acid methyl ester,methyl-3-hydroxy-4-methoxybenzoate,methyl 3-hydroxy-4-methoxy-benzoate,benzoic acid, 3-hydroxy-4-methoxy-, methyl ester,methyl 3-hydroxy-4-methoxy benzoate,isovamllic acid methyl ester,ksc496e5l |
| IUPAC Name | methyl 3-hydroxy-4-methoxybenzoate |
| InChI Key | QXOXUEFXRSIYSW-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
(R)-(+)-1-Phenyl-1-propanol 98.0+%, TCI America™
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CAS: 1565-74-8 Molecular Formula: C9H12O Molecular Weight (g/mol): 136.194 MDL Number: MFCD00064279 InChI Key: DYUQAZSOFZSPHD-SECBINFHSA-N Synonym: r-+-1-phenyl-1-propanol,r-1-phenylpropan-1-ol,1r-1-phenylpropan-1-ol,r-1-phenyl-1-propanol,r-1-phenyl-propanol,r-+-alpha-ethylbenzyl alcohol,r-+-1-phenylpropanol,r-1-phenylpropanol,1-phenyl-1-propanol #,r-1-phenyl-1propanol PubChem CID: 640199 IUPAC Name: (1R)-1-phenylpropan-1-ol SMILES: CCC(C1=CC=CC=C1)O
| PubChem CID | 640199 |
|---|---|
| CAS | 1565-74-8 |
| Molecular Weight (g/mol) | 136.194 |
| MDL Number | MFCD00064279 |
| SMILES | CCC(C1=CC=CC=C1)O |
| Synonym | r-+-1-phenyl-1-propanol,r-1-phenylpropan-1-ol,1r-1-phenylpropan-1-ol,r-1-phenyl-1-propanol,r-1-phenyl-propanol,r-+-alpha-ethylbenzyl alcohol,r-+-1-phenylpropanol,r-1-phenylpropanol,1-phenyl-1-propanol #,r-1-phenyl-1propanol |
| IUPAC Name | (1R)-1-phenylpropan-1-ol |
| InChI Key | DYUQAZSOFZSPHD-SECBINFHSA-N |
| Molecular Formula | C9H12O |
Imidocarb Dipropionate 98.0+%, TCI America™
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CAS: 55750-06-6 Molecular Formula: C25H32N6O5 Molecular Weight (g/mol): 496.568 MDL Number: MFCD00013161 InChI Key: AFGQXWSHYUHHNV-UHFFFAOYSA-N PubChem CID: 9983292 IUPAC Name: 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;propanoic acid SMILES: CCC(=O)O.CCC(=O)O.C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4
| PubChem CID | 9983292 |
|---|---|
| CAS | 55750-06-6 |
| Molecular Weight (g/mol) | 496.568 |
| MDL Number | MFCD00013161 |
| SMILES | CCC(=O)O.CCC(=O)O.C1CN=C(N1)C2=CC(=CC=C2)NC(=O)NC3=CC=CC(=C3)C4=NCCN4 |
| IUPAC Name | 1,3-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea;propanoic acid |
| InChI Key | AFGQXWSHYUHHNV-UHFFFAOYSA-N |
| Molecular Formula | C25H32N6O5 |
2-Fluoro-5-methylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 10351884 |
|---|---|
| CAS | 166328-16-1 |
| Molecular Weight (g/mol) | 153.947 |
| MDL Number | MFCD03428512 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=C(C=CC(=C1)C)F)(O)O |
| TSCA | No |
| IUPAC Name | (2-fluoro-5-methylphenyl)boronic acid |
| InChI Key | ZLODKAZZRDLUKX-UHFFFAOYSA-N |
| Molecular Formula | C7H8BFO2 |
| Formula Weight | 153.95 |
4-Methyl-3-nitrobenzonitrile 98.0+%, TCI America™
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CAS: 939-79-7 Molecular Formula: C8H6N2O2 Molecular Weight (g/mol): 162.148 MDL Number: MFCD00031482 InChI Key: KOFBNBCOGKLUOM-UHFFFAOYSA-N Synonym: 3-nitro-4-methylbenzonitrile,3-nitro-p-tolunitrile,4-methyl-3-nitro-benzonitrile,benzonitrile, 4-methyl-3-nitro,4-cyano-2-nitrotoluene,4-methyl-3-nitrobenzenecarbonitrile,5-cyano-2-methylnitrobenzene,2-nitro-p-toluonitrile,pubchem4817,acmc-209gtb PubChem CID: 589333 IUPAC Name: 4-methyl-3-nitrobenzonitrile SMILES: CC1=C(C=C(C=C1)C#N)[N+](=O)[O-]
| PubChem CID | 589333 |
|---|---|
| CAS | 939-79-7 |
| Molecular Weight (g/mol) | 162.148 |
| MDL Number | MFCD00031482 |
| SMILES | CC1=C(C=C(C=C1)C#N)[N+](=O)[O-] |
| Synonym | 3-nitro-4-methylbenzonitrile,3-nitro-p-tolunitrile,4-methyl-3-nitro-benzonitrile,benzonitrile, 4-methyl-3-nitro,4-cyano-2-nitrotoluene,4-methyl-3-nitrobenzenecarbonitrile,5-cyano-2-methylnitrobenzene,2-nitro-p-toluonitrile,pubchem4817,acmc-209gtb |
| IUPAC Name | 4-methyl-3-nitrobenzonitrile |
| InChI Key | KOFBNBCOGKLUOM-UHFFFAOYSA-N |
| Molecular Formula | C8H6N2O2 |
Benzylamine Hydrobromide 98.0+%, TCI America™
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CAS: 37488-40-7 Molecular Formula: C7H10BrN Molecular Weight (g/mol): 188.068 MDL Number: MFCD00035434 InChI Key: QJFMCHRSDOLMHA-UHFFFAOYSA-N Synonym: Benzylammonium Bromide PubChem CID: 12998568 IUPAC Name: phenylmethanamine;hydrobromide SMILES: C1=CC=C(C=C1)CN.Br
| PubChem CID | 12998568 |
|---|---|
| CAS | 37488-40-7 |
| Molecular Weight (g/mol) | 188.068 |
| MDL Number | MFCD00035434 |
| SMILES | C1=CC=C(C=C1)CN.Br |
| Synonym | Benzylammonium Bromide |
| IUPAC Name | phenylmethanamine;hydrobromide |
| InChI Key | QJFMCHRSDOLMHA-UHFFFAOYSA-N |
| Molecular Formula | C7H10BrN |
4-Dodecyloxyphthalonitrile 99.0+%, TCI America™
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CAS: 161082-75-3 Molecular Formula: C20H28N2O Molecular Weight (g/mol): 312.457 MDL Number: MFCD00191413 InChI Key: SWVGQFFVXRAJRQ-UHFFFAOYSA-N Synonym: 1,2-Dicyano-4-dodecyloxybenzene PubChem CID: 44630254 IUPAC Name: 4-dodecoxybenzene-1,2-dicarbonitrile SMILES: CCCCCCCCCCCCOC1=CC(=C(C=C1)C#N)C#N
| PubChem CID | 44630254 |
|---|---|
| CAS | 161082-75-3 |
| Molecular Weight (g/mol) | 312.457 |
| MDL Number | MFCD00191413 |
| SMILES | CCCCCCCCCCCCOC1=CC(=C(C=C1)C#N)C#N |
| Synonym | 1,2-Dicyano-4-dodecyloxybenzene |
| IUPAC Name | 4-dodecoxybenzene-1,2-dicarbonitrile |
| InChI Key | SWVGQFFVXRAJRQ-UHFFFAOYSA-N |
| Molecular Formula | C20H28N2O |
2-Methyl-6-nitroaniline 99.0+%, TCI America™
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CAS: 570-24-1 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007744 InChI Key: FCMRHMPITHLLLA-UHFFFAOYSA-N Synonym: 6-nitro-o-toluidine,2-amino-3-nitrotoluene,benzenamine, 2-methyl-6-nitro,2-methyl-6-nitrobenzenamine,6-methyl-2-nitroaniline,1-amino-2-methyl-6-nitrobenzene,unii-oup165ykbc,3-nitro-2-aminotoluene,2-nitro-6-methylaniline,oup165ykbc PubChem CID: 11298 IUPAC Name: 2-methyl-6-nitroaniline SMILES: CC1=C(C(=CC=C1)[N+](=O)[O-])N
| PubChem CID | 11298 |
|---|---|
| CAS | 570-24-1 |
| Molecular Weight (g/mol) | 152.153 |
| MDL Number | MFCD00007744 |
| SMILES | CC1=C(C(=CC=C1)[N+](=O)[O-])N |
| Synonym | 6-nitro-o-toluidine,2-amino-3-nitrotoluene,benzenamine, 2-methyl-6-nitro,2-methyl-6-nitrobenzenamine,6-methyl-2-nitroaniline,1-amino-2-methyl-6-nitrobenzene,unii-oup165ykbc,3-nitro-2-aminotoluene,2-nitro-6-methylaniline,oup165ykbc |
| IUPAC Name | 2-methyl-6-nitroaniline |
| InChI Key | FCMRHMPITHLLLA-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
3-Bromo-4-methylbenzoic Acid 98.0+%, TCI America™
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CAS: 7697-26-9 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00002488 InChI Key: ZFJOMUKPDWNRFI-UHFFFAOYSA-N Synonym: 3-bromo-4-methylbenzoicacid,3-bromo-p-toluic acid,benzoic acid, 3-bromo-4-methyl,3-bromo-4-methyl-benzoic acid,bromo-p-toluic acid,pubchem3806,bromo-para-toluic acid,3-bromo4-methylbenzoic acid,acmc-1bg95,akos bbb/219 PubChem CID: 82130 IUPAC Name: 3-bromo-4-methylbenzoic acid SMILES: CC1=CC=C(C=C1Br)C(O)=O
| PubChem CID | 82130 |
|---|---|
| CAS | 7697-26-9 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD00002488 |
| SMILES | CC1=CC=C(C=C1Br)C(O)=O |
| Synonym | 3-bromo-4-methylbenzoicacid,3-bromo-p-toluic acid,benzoic acid, 3-bromo-4-methyl,3-bromo-4-methyl-benzoic acid,bromo-p-toluic acid,pubchem3806,bromo-para-toluic acid,3-bromo4-methylbenzoic acid,acmc-1bg95,akos bbb/219 |
| IUPAC Name | 3-bromo-4-methylbenzoic acid |
| InChI Key | ZFJOMUKPDWNRFI-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
4-(4-Bromophenyl)butyric Acid 98.0+%, TCI America™
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CAS: 35656-89-4 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.1 MDL Number: MFCD00463170 InChI Key: AGIIMNQWNPUJPT-UHFFFAOYSA-N PubChem CID: 252732 IUPAC Name: 4-(4-bromophenyl)butanoic acid SMILES: C1=CC(=CC=C1CCCC(=O)O)Br
| PubChem CID | 252732 |
|---|---|
| CAS | 35656-89-4 |
| Molecular Weight (g/mol) | 243.1 |
| MDL Number | MFCD00463170 |
| SMILES | C1=CC(=CC=C1CCCC(=O)O)Br |
| IUPAC Name | 4-(4-bromophenyl)butanoic acid |
| InChI Key | AGIIMNQWNPUJPT-UHFFFAOYSA-N |
| Molecular Formula | C10H11BrO2 |
2-Bromo-4-nitrotoluene 98.0+%, TCI America™
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CAS: 7745-93-9 Molecular Formula: C7H6BrNO2 Molecular Weight (g/mol): 216.034 MDL Number: MFCD00007195 InChI Key: XFZFJQHXWJIBQV-UHFFFAOYSA-N Synonym: 2-bromo-4-nitrotoluene,benzene, 2-bromo-1-methyl-4-nitro,3-bromo-4-methylnitrobenzene,toluene, 2-bromo-4-nitro,3-bromo-4-methyl nitrobenzene,1-bromo-2-methyl-5-nitrobenzene,2-bromo-1-methyl-4-nitro-benzene,pubchem3822,2-bromo-4nitrotoluene,2-bromo4-nitrotoluene PubChem CID: 82189 IUPAC Name: 2-bromo-1-methyl-4-nitrobenzene SMILES: CC1=C(C=C(C=C1)[N+](=O)[O-])Br
| PubChem CID | 82189 |
|---|---|
| CAS | 7745-93-9 |
| Molecular Weight (g/mol) | 216.034 |
| MDL Number | MFCD00007195 |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])Br |
| Synonym | 2-bromo-4-nitrotoluene,benzene, 2-bromo-1-methyl-4-nitro,3-bromo-4-methylnitrobenzene,toluene, 2-bromo-4-nitro,3-bromo-4-methyl nitrobenzene,1-bromo-2-methyl-5-nitrobenzene,2-bromo-1-methyl-4-nitro-benzene,pubchem3822,2-bromo-4nitrotoluene,2-bromo4-nitrotoluene |
| IUPAC Name | 2-bromo-1-methyl-4-nitrobenzene |
| InChI Key | XFZFJQHXWJIBQV-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO2 |
1-Phenoxy-2-propanol 95.0+%, TCI America™
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CAS: 770-35-4 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00016861 InChI Key: IBLKWZIFZMJLFL-UHFFFAOYNA-N Synonym: 1-phenoxy-2-propanol,2-propanol, 1-phenoxy,phenoxyisopropanol,propylene phenoxetol,2-phenoxy-1-methylethanol,1-phenoxy-propan-2-ol,phenyl-.beta.-hydroxypropyl ether,dsstox_cid_7312,dsstox_rid_78402,dsstox_gsid_27312 PubChem CID: 92839 IUPAC Name: 1-phenoxypropan-2-ol SMILES: CC(O)COC1=CC=CC=C1
| PubChem CID | 92839 |
|---|---|
| CAS | 770-35-4 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00016861 |
| SMILES | CC(O)COC1=CC=CC=C1 |
| Synonym | 1-phenoxy-2-propanol,2-propanol, 1-phenoxy,phenoxyisopropanol,propylene phenoxetol,2-phenoxy-1-methylethanol,1-phenoxy-propan-2-ol,phenyl-.beta.-hydroxypropyl ether,dsstox_cid_7312,dsstox_rid_78402,dsstox_gsid_27312 |
| IUPAC Name | 1-phenoxypropan-2-ol |
| InChI Key | IBLKWZIFZMJLFL-UHFFFAOYNA-N |
| Molecular Formula | C9H12O2 |
Diphenyliodonium Hexafluorophosphate 97.0+%, TCI America™
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CAS: 58109-40-3 Molecular Formula: C12H10I Molecular Weight (g/mol): 281.12 MDL Number: MFCD00061398 InChI Key: OZLBDYMWFAHSOQ-UHFFFAOYSA-N Synonym: diphenyliodonium hexafluorophosphate,diphenyliodanium hexafluorophosphate,diphenyliodonium hexafluorophosphate v,iodonium, diphenyl-, hexafluorophosphate 1-,iodonium, diphenyl-, hexafluorophosphate 1-1:1,diphenyliodonium pf6,dpihfp,acmc-209m2o,phi + pf6-,diphenyliodanium; hexafluoro-$l^ 5-phosphanuide PubChem CID: 2737136 IUPAC Name: diphenyliodanium SMILES: [I+](C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2737136 |
|---|---|
| CAS | 58109-40-3 |
| Molecular Weight (g/mol) | 281.12 |
| MDL Number | MFCD00061398 |
| SMILES | [I+](C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | diphenyliodonium hexafluorophosphate,diphenyliodanium hexafluorophosphate,diphenyliodonium hexafluorophosphate v,iodonium, diphenyl-, hexafluorophosphate 1-,iodonium, diphenyl-, hexafluorophosphate 1-1:1,diphenyliodonium pf6,dpihfp,acmc-209m2o,phi + pf6-,diphenyliodanium; hexafluoro-$l^ 5-phosphanuide |
| IUPAC Name | diphenyliodanium |
| InChI Key | OZLBDYMWFAHSOQ-UHFFFAOYSA-N |
| Molecular Formula | C12H10I |
9-[(9H-Fluoren-9-ylmethoxy)carbonylamino]-4,7-dioxanonanoic Acid 98.0+%, TCI America™
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CAS: 872679-70-4 Molecular Formula: C22H25NO6 Molecular Weight (g/mol): 399.443 MDL Number: MFCD08064306 InChI Key: QWHLFJJLRVOHTM-UHFFFAOYSA-N Synonym: 9-(Fmoc-amino)-4,7-dioxanonanoic Acid, 3-[2-[2-[(9H-Fluoren-9-ylmethoxy)carbonylamino]ethoxy]ethoxy]propionic Acid, 3-[2-[2-(Fmoc-amino)ethoxy]ethoxy]propionic Acid, Fmoc-NH-PEG2-CH2CH2COOH PubChem CID: 51340973 IUPAC Name: 3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoic acid SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCC(=O)O
| PubChem CID | 51340973 |
|---|---|
| CAS | 872679-70-4 |
| Molecular Weight (g/mol) | 399.443 |
| MDL Number | MFCD08064306 |
| SMILES | C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCCOCCOCCC(=O)O |
| Synonym | 9-(Fmoc-amino)-4,7-dioxanonanoic Acid, 3-[2-[2-[(9H-Fluoren-9-ylmethoxy)carbonylamino]ethoxy]ethoxy]propionic Acid, 3-[2-[2-(Fmoc-amino)ethoxy]ethoxy]propionic Acid, Fmoc-NH-PEG2-CH2CH2COOH |
| IUPAC Name | 3-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]propanoic acid |
| InChI Key | QWHLFJJLRVOHTM-UHFFFAOYSA-N |
| Molecular Formula | C22H25NO6 |
(R)-4-Benzyloxy-1,3-butanediol 96.0+%, TCI America™
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CAS: 81096-93-7 Molecular Formula: C11H16O3 Molecular Weight (g/mol): 196.246 InChI Key: ZVVBUAFZGGHYAO-LLVKDONJSA-N PubChem CID: 11052557 IUPAC Name: (3R)-4-phenylmethoxybutane-1,3-diol SMILES: C1=CC=C(C=C1)COCC(CCO)O
| PubChem CID | 11052557 |
|---|---|
| CAS | 81096-93-7 |
| Molecular Weight (g/mol) | 196.246 |
| SMILES | C1=CC=C(C=C1)COCC(CCO)O |
| IUPAC Name | (3R)-4-phenylmethoxybutane-1,3-diol |
| InChI Key | ZVVBUAFZGGHYAO-LLVKDONJSA-N |
| Molecular Formula | C11H16O3 |