Benzenoids
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5-Chloro-2-methoxyaniline 98.0+%, TCI America™
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CAS: 95-03-4 Molecular Formula: C7H8ClNO Molecular Weight (g/mol): 157.597 MDL Number: MFCD00007777 InChI Key: WBSMIPLNPSCJFS-UHFFFAOYSA-N Synonym: 2-amino-4-chloroanisole,5-chloro-o-anisidine,benzenamine, 5-chloro-2-methoxy,2-methoxy-5-chloroaniline,tulabase fast red r,tulabase fast red rc,4-chloro-2-aminoanisole,o-anisidine, 5-chloro,5-chloro-2-methoxyphenylamine,p-chloro-o-aminoanisole PubChem CID: 66763 IUPAC Name: 5-chloro-2-methoxyaniline SMILES: COC1=C(C=C(C=C1)Cl)N
| PubChem CID | 66763 |
|---|---|
| CAS | 95-03-4 |
| Molecular Weight (g/mol) | 157.597 |
| MDL Number | MFCD00007777 |
| SMILES | COC1=C(C=C(C=C1)Cl)N |
| Synonym | 2-amino-4-chloroanisole,5-chloro-o-anisidine,benzenamine, 5-chloro-2-methoxy,2-methoxy-5-chloroaniline,tulabase fast red r,tulabase fast red rc,4-chloro-2-aminoanisole,o-anisidine, 5-chloro,5-chloro-2-methoxyphenylamine,p-chloro-o-aminoanisole |
| IUPAC Name | 5-chloro-2-methoxyaniline |
| InChI Key | WBSMIPLNPSCJFS-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClNO |
3-Bromobenzaldehyde 98.0+%, TCI America™
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CAS: 3132-99-8 Molecular Formula: C7H5BrO Molecular Weight (g/mol): 185.02 MDL Number: MFCD00003345 InChI Key: SUISZCALMBHJQX-UHFFFAOYSA-N Synonym: m-bromobenzaldehyde,benzaldehyde, 3-bromo,benzaldehyde, m-bromo,3-bromobenzeldehyde,unii-w0ard2zj82,3-bromo benzaldehyde,3-bromo-benzaldehyde,w0ard2zj82,benzaldehyde, m-bromo-6ci,7ci,8ci,3-bromobenzaidehyde PubChem CID: 76583 IUPAC Name: 3-bromobenzaldehyde SMILES: C1=CC(=CC(=C1)Br)C=O
| PubChem CID | 76583 |
|---|---|
| CAS | 3132-99-8 |
| Molecular Weight (g/mol) | 185.02 |
| MDL Number | MFCD00003345 |
| SMILES | C1=CC(=CC(=C1)Br)C=O |
| Synonym | m-bromobenzaldehyde,benzaldehyde, 3-bromo,benzaldehyde, m-bromo,3-bromobenzeldehyde,unii-w0ard2zj82,3-bromo benzaldehyde,3-bromo-benzaldehyde,w0ard2zj82,benzaldehyde, m-bromo-6ci,7ci,8ci,3-bromobenzaidehyde |
| IUPAC Name | 3-bromobenzaldehyde |
| InChI Key | SUISZCALMBHJQX-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO |
3-(Dimethylamino)-1-phenyl-2-propen-1-one 98.0+%, TCI America™
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CAS: 1201-93-0 Molecular Formula: C11H13NO Molecular Weight (g/mol): 175.231 MDL Number: MFCD03939120 InChI Key: HUTKDPINCSJXAA-CMDGGOBGSA-N Synonym: 3-(Dimethylamino)acrylophenone PubChem CID: 5398495 IUPAC Name: (E)-3-(dimethylamino)-1-phenylprop-2-en-1-one SMILES: CN(C)C=CC(=O)C1=CC=CC=C1
| PubChem CID | 5398495 |
|---|---|
| CAS | 1201-93-0 |
| Molecular Weight (g/mol) | 175.231 |
| MDL Number | MFCD03939120 |
| SMILES | CN(C)C=CC(=O)C1=CC=CC=C1 |
| Synonym | 3-(Dimethylamino)acrylophenone |
| IUPAC Name | (E)-3-(dimethylamino)-1-phenylprop-2-en-1-one |
| InChI Key | HUTKDPINCSJXAA-CMDGGOBGSA-N |
| Molecular Formula | C11H13NO |
1-Methoxypyrene 96.0+%, TCI America™
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CAS: 34246-96-3 Molecular Formula: C17H12O Molecular Weight (g/mol): 232.28 MDL Number: MFCD00127747 InChI Key: CPPFVJLHDNOVTN-UHFFFAOYSA-N PubChem CID: 160236 ChEBI: CHEBI:81610 IUPAC Name: 1-methoxypyrene SMILES: COC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34
| PubChem CID | 160236 |
|---|---|
| CAS | 34246-96-3 |
| Molecular Weight (g/mol) | 232.28 |
| ChEBI | CHEBI:81610 |
| MDL Number | MFCD00127747 |
| SMILES | COC1=CC=C2C=CC3=CC=CC4=CC=C1C2=C34 |
| IUPAC Name | 1-methoxypyrene |
| InChI Key | CPPFVJLHDNOVTN-UHFFFAOYSA-N |
| Molecular Formula | C17H12O |
1-Chloromethylpyrene 97.0+%, TCI America™
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CAS: 1086-00-6 Molecular Formula: C17H11Cl Molecular Weight (g/mol): 250.725 MDL Number: MFCD00962113 InChI Key: MVNXSXOJYGSNQZ-UHFFFAOYSA-N PubChem CID: 97581 IUPAC Name: 1-(chloromethyl)pyrene SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCl
| PubChem CID | 97581 |
|---|---|
| CAS | 1086-00-6 |
| Molecular Weight (g/mol) | 250.725 |
| MDL Number | MFCD00962113 |
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCl |
| IUPAC Name | 1-(chloromethyl)pyrene |
| InChI Key | MVNXSXOJYGSNQZ-UHFFFAOYSA-N |
| Molecular Formula | C17H11Cl |
9,9-Bis[4-(1-pyrenyl)phenyl]fluorene 96.0+%, TCI America™
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CAS: 1174006-47-3 Molecular Formula: C57H34 Molecular Weight (g/mol): 718.899 MDL Number: MFCD12022454 InChI Key: WHLKCPQPGTUZBU-UHFFFAOYSA-N PubChem CID: 101502333 IUPAC Name: 1-[4-[9-(4-pyren-1-ylphenyl)fluoren-9-yl]phenyl]pyrene SMILES: C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=CC=C(C=C9)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1
| PubChem CID | 101502333 |
|---|---|
| CAS | 1174006-47-3 |
| Molecular Weight (g/mol) | 718.899 |
| MDL Number | MFCD12022454 |
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)C5=C6C=CC7=CC=CC8=C7C6=C(C=C8)C=C5)C9=CC=C(C=C9)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1 |
| IUPAC Name | 1-[4-[9-(4-pyren-1-ylphenyl)fluoren-9-yl]phenyl]pyrene |
| InChI Key | WHLKCPQPGTUZBU-UHFFFAOYSA-N |
| Molecular Formula | C57H34 |
Amyl Benzoate 98.0+%, TCI America™
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CAS: 2049-96-9 Molecular Formula: C12H16O2 Molecular Weight (g/mol): 192.258 MDL Number: MFCD00048843 InChI Key: QKNZNUNCDJZTCH-UHFFFAOYSA-N Synonym: amyl benzoate,n-pentyl benzoate,benzoic acid, pentyl ester,n-amyl benzoate,unii-cle7k4b29s,cle7k4b29s,amylbenzoat,amylbenzoate,n amyl benxoate,benzoic acid pentyl PubChem CID: 16296 IUPAC Name: pentyl benzoate SMILES: CCCCCOC(=O)C1=CC=CC=C1
| PubChem CID | 16296 |
|---|---|
| CAS | 2049-96-9 |
| Molecular Weight (g/mol) | 192.258 |
| MDL Number | MFCD00048843 |
| SMILES | CCCCCOC(=O)C1=CC=CC=C1 |
| Synonym | amyl benzoate,n-pentyl benzoate,benzoic acid, pentyl ester,n-amyl benzoate,unii-cle7k4b29s,cle7k4b29s,amylbenzoat,amylbenzoate,n amyl benxoate,benzoic acid pentyl |
| IUPAC Name | pentyl benzoate |
| InChI Key | QKNZNUNCDJZTCH-UHFFFAOYSA-N |
| Molecular Formula | C12H16O2 |
4-Bromo-2-fluorobenzaldehyde 96.0+%, TCI America™
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CAS: 57848-46-1 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00143261 InChI Key: UPCARQPLANFGQJ-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-fluoro,4-bromo-2-fluoro-benzaldehyde,pubchem1421,acmc-1awi3,4-bromo-2-flurobenzaldehyde,4-bromo-2 fluorobenzaldehyde,ksc272o0t,2-fluoro-4-bromo-benzaldehyde,4-bromo-2-fluoro benzaldehyde PubChem CID: 143517 IUPAC Name: 4-bromo-2-fluorobenzaldehyde SMILES: FC1=CC(Br)=CC=C1C=O
| PubChem CID | 143517 |
|---|---|
| CAS | 57848-46-1 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00143261 |
| SMILES | FC1=CC(Br)=CC=C1C=O |
| Synonym | 2-fluoro-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-fluoro,4-bromo-2-fluoro-benzaldehyde,pubchem1421,acmc-1awi3,4-bromo-2-flurobenzaldehyde,4-bromo-2 fluorobenzaldehyde,ksc272o0t,2-fluoro-4-bromo-benzaldehyde,4-bromo-2-fluoro benzaldehyde |
| IUPAC Name | 4-bromo-2-fluorobenzaldehyde |
| InChI Key | UPCARQPLANFGQJ-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
1,1-Diphenylhydrazine 97.0+%, TCI America™
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CAS: 530-50-7 Molecular Formula: C12H12N2 Molecular Weight (g/mol): 184.242 MDL Number: MFCD00044505 InChI Key: YHYKLKNNBYLTQY-UHFFFAOYSA-N PubChem CID: 10739 IUPAC Name: 1,1-diphenylhydrazine SMILES: C1=CC=C(C=C1)N(C2=CC=CC=C2)N
| PubChem CID | 10739 |
|---|---|
| CAS | 530-50-7 |
| Molecular Weight (g/mol) | 184.242 |
| MDL Number | MFCD00044505 |
| SMILES | C1=CC=C(C=C1)N(C2=CC=CC=C2)N |
| IUPAC Name | 1,1-diphenylhydrazine |
| InChI Key | YHYKLKNNBYLTQY-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2 |
2-Chloro-3-nitrotoluene 98.0+%, TCI America™
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CAS: 3970-40-9 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00134653 InChI Key: XTSGZXRUCAWXKY-UHFFFAOYSA-N Synonym: 2-chloro-3-nitrotoluene,2-chloro-3-methylnitrobenzene,2-chloro-3-nitro toluene,benzene, 2-chloro-1-methyl-3-nitro,chloronitrotoluene,ksc493s7b,2-?chloro-?3-?nitrotoluene PubChem CID: 77591 IUPAC Name: 2-chloro-1-methyl-3-nitrobenzene SMILES: CC1=CC=CC(=C1Cl)[N+]([O-])=O
| PubChem CID | 77591 |
|---|---|
| CAS | 3970-40-9 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00134653 |
| SMILES | CC1=CC=CC(=C1Cl)[N+]([O-])=O |
| Synonym | 2-chloro-3-nitrotoluene,2-chloro-3-methylnitrobenzene,2-chloro-3-nitro toluene,benzene, 2-chloro-1-methyl-3-nitro,chloronitrotoluene,ksc493s7b,2-?chloro-?3-?nitrotoluene |
| IUPAC Name | 2-chloro-1-methyl-3-nitrobenzene |
| InChI Key | XTSGZXRUCAWXKY-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
Nalpha-[(9H-Fluoren-9-ylmethoxy)carbonyl]-Nepsilon-(4-methyltrityl)-L-lysine 98.0+%, TCI America™
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CAS: 167393-62-6 Molecular Formula: C41H40N2O4 Molecular Weight (g/mol): 624.78 MDL Number: MFCD00237166 InChI Key: YPTNAIDIXCOZAJ-WHUAGQPENA-N Synonym: fmoc-lys mtt-oh,fmoc-l-lys mtt-oh,fmoc-n'-methyltrityl-l-lysine,nalpha-fmoc-nepsilon-4-methyltrityl-l-lysine,s-2-9h-fluoren-9-yl methoxy carbonyl amino-6-diphenyl p-tolyl methyl amino hexanoic acid,fmoc-lys meotrt-oh,fmoc-lysine mtt-oh,fmoc-l-lys mmt-oh,ambotzfaa1135,fmoc-lys ch3trt-oh PubChem CID: 10963195 IUPAC Name: (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-6-{[(4-methylphenyl)diphenylmethyl]amino}hexanoic acid SMILES: CC1=CC=C(C=C1)C(NCCCC[C@H](NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 10963195 |
|---|---|
| CAS | 167393-62-6 |
| Molecular Weight (g/mol) | 624.78 |
| MDL Number | MFCD00237166 |
| SMILES | CC1=CC=C(C=C1)C(NCCCC[C@H](NC(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12)C(O)=O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | fmoc-lys mtt-oh,fmoc-l-lys mtt-oh,fmoc-n'-methyltrityl-l-lysine,nalpha-fmoc-nepsilon-4-methyltrityl-l-lysine,s-2-9h-fluoren-9-yl methoxy carbonyl amino-6-diphenyl p-tolyl methyl amino hexanoic acid,fmoc-lys meotrt-oh,fmoc-lysine mtt-oh,fmoc-l-lys mmt-oh,ambotzfaa1135,fmoc-lys ch3trt-oh |
| IUPAC Name | (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-6-{[(4-methylphenyl)diphenylmethyl]amino}hexanoic acid |
| InChI Key | YPTNAIDIXCOZAJ-WHUAGQPENA-N |
| Molecular Formula | C41H40N2O4 |
2,3-Dimethylphenol 98.0+%, TCI America™
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CAS: 526-75-0 Molecular Formula: C8H10O Molecular Weight (g/mol): 122.167 MDL Number: MFCD00002227 InChI Key: QWBBPBRQALCEIZ-UHFFFAOYSA-N Synonym: 1-hydroxy-2,3-dimethylbenzene,2,3-xylenol,dimethylphenol,xylenol,phenol, 2,3-dimethyl,o-xylenol,vic-o-xylenol,o-3-xylenol,xyellenol 100,2,3-dimethyl phenol PubChem CID: 10687 IUPAC Name: 2,3-dimethylphenol SMILES: CC1=C(C(=CC=C1)O)C
| PubChem CID | 10687 |
|---|---|
| CAS | 526-75-0 |
| Molecular Weight (g/mol) | 122.167 |
| MDL Number | MFCD00002227 |
| SMILES | CC1=C(C(=CC=C1)O)C |
| Synonym | 1-hydroxy-2,3-dimethylbenzene,2,3-xylenol,dimethylphenol,xylenol,phenol, 2,3-dimethyl,o-xylenol,vic-o-xylenol,o-3-xylenol,xyellenol 100,2,3-dimethyl phenol |
| IUPAC Name | 2,3-dimethylphenol |
| InChI Key | QWBBPBRQALCEIZ-UHFFFAOYSA-N |
| Molecular Formula | C8H10O |
4-Chloro-3-(trifluoromethyl)phenyl Isocyanate 98.0+%, TCI America™
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CAS: 327-78-6 Molecular Formula: C8H3ClF3NO Molecular Weight (g/mol): 221.563 MDL Number: MFCD00013874 InChI Key: NBJZEUQTGLSUOB-UHFFFAOYSA-N Synonym: 4-chloro-3-trifluoromethyl phenyl isocyanate,1-chloro-4-isocyanato-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl phenylisocyanate,benzene, 1-chloro-4-isocyanato-2-trifluoromethyl,4-chloro-3-trifluoromethylphenyl isocyanate,4-chloro-3-trifluoromethoxy phenyl isocyanate,1-chloro-4-isocyanato-2-trifluoromethyl-benzene,4-chloro-3-trifluoromethyl benzenisocyanate,3-trifluoromethyl-4-chloro-phenyl isocyanate,pubchem5027 PubChem CID: 2733265 IUPAC Name: 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene SMILES: C1=CC(=C(C=C1N=C=O)C(F)(F)F)Cl
| PubChem CID | 2733265 |
|---|---|
| CAS | 327-78-6 |
| Molecular Weight (g/mol) | 221.563 |
| MDL Number | MFCD00013874 |
| SMILES | C1=CC(=C(C=C1N=C=O)C(F)(F)F)Cl |
| Synonym | 4-chloro-3-trifluoromethyl phenyl isocyanate,1-chloro-4-isocyanato-2-trifluoromethyl benzene,4-chloro-3-trifluoromethyl phenylisocyanate,benzene, 1-chloro-4-isocyanato-2-trifluoromethyl,4-chloro-3-trifluoromethylphenyl isocyanate,4-chloro-3-trifluoromethoxy phenyl isocyanate,1-chloro-4-isocyanato-2-trifluoromethyl-benzene,4-chloro-3-trifluoromethyl benzenisocyanate,3-trifluoromethyl-4-chloro-phenyl isocyanate,pubchem5027 |
| IUPAC Name | 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene |
| InChI Key | NBJZEUQTGLSUOB-UHFFFAOYSA-N |
| Molecular Formula | C8H3ClF3NO |
4-Chloro-2-iodoaniline 98.0+%, TCI America™
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CAS: 63069-48-7 Molecular Formula: C6H5ClIN Molecular Weight (g/mol): 253.467 MDL Number: MFCD01863737 InChI Key: FLEJOBRWKBPUOX-UHFFFAOYSA-N Synonym: 2-iodo-4-chloroaniline,4-chloro-2-iodo-aniline,4-chloro-2-iodo-phenylamine,4-chloro-2-iodophenylamine,benzenamine, 4-chloro-2-iodo,zlchem 532,pubchem3645,4-chloro-6-iodoaniline,acmc-1bcyk,2-iodo-4-chloro-aniline PubChem CID: 2757615 IUPAC Name: 4-chloro-2-iodoaniline SMILES: C1=CC(=C(C=C1Cl)I)N
| PubChem CID | 2757615 |
|---|---|
| CAS | 63069-48-7 |
| Molecular Weight (g/mol) | 253.467 |
| MDL Number | MFCD01863737 |
| SMILES | C1=CC(=C(C=C1Cl)I)N |
| Synonym | 2-iodo-4-chloroaniline,4-chloro-2-iodo-aniline,4-chloro-2-iodo-phenylamine,4-chloro-2-iodophenylamine,benzenamine, 4-chloro-2-iodo,zlchem 532,pubchem3645,4-chloro-6-iodoaniline,acmc-1bcyk,2-iodo-4-chloro-aniline |
| IUPAC Name | 4-chloro-2-iodoaniline |
| InChI Key | FLEJOBRWKBPUOX-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClIN |
2,6-Dichlorobenzyl Cyanide 98.0+%, TCI America™
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CAS: 3215-64-3 Molecular Formula: C8H5Cl2N Molecular Weight (g/mol): 186.035 MDL Number: MFCD00001901 InChI Key: AOEJUUCUKRUCEF-UHFFFAOYSA-N Synonym: 2,6-dichlorophenylacetonitrile,2,6-dichlorobenzyl cyanide,2-2,6-dichlorophenyl acetonitrile,2,6-dichlorophenyl acetonitrile,2,6-dichlorobenzeneacetonitrile,benzeneacetonitrile, 2,6-dichloro,acetonitrile, 2,6-dichlorophenyl,2,6-dichloro-phenyl-acetonitrile,2-2,6-dichlorophenyl ethanenitrile PubChem CID: 76678 IUPAC Name: 2-(2,6-dichlorophenyl)acetonitrile SMILES: C1=CC(=C(C(=C1)Cl)CC#N)Cl
| PubChem CID | 76678 |
|---|---|
| CAS | 3215-64-3 |
| Molecular Weight (g/mol) | 186.035 |
| MDL Number | MFCD00001901 |
| SMILES | C1=CC(=C(C(=C1)Cl)CC#N)Cl |
| Synonym | 2,6-dichlorophenylacetonitrile,2,6-dichlorobenzyl cyanide,2-2,6-dichlorophenyl acetonitrile,2,6-dichlorophenyl acetonitrile,2,6-dichlorobenzeneacetonitrile,benzeneacetonitrile, 2,6-dichloro,acetonitrile, 2,6-dichlorophenyl,2,6-dichloro-phenyl-acetonitrile,2-2,6-dichlorophenyl ethanenitrile |
| IUPAC Name | 2-(2,6-dichlorophenyl)acetonitrile |
| InChI Key | AOEJUUCUKRUCEF-UHFFFAOYSA-N |
| Molecular Formula | C8H5Cl2N |