Benzenoids
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3-Iodobenzyl Cyanide 96.0+%, TCI America™
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CAS: 130723-54-5 Molecular Formula: C8H6IN Molecular Weight (g/mol): 243.05 MDL Number: MFCD00040890 InChI Key: LVOKGAHCTHNWIL-UHFFFAOYSA-N Synonym: 3-iodophenylacetonitrile,2-3-iodophenyl acetonitrile,3-iodobenzyl cyanide,3-iodophenyl acetonitrile,m-iodobenzyl cyanide,3-iodophenyacetonitrile,pubchem12771,3-iodo-1-phenylacetonitrile,acmc-1c0v0,benzeneacetonitrile, 3-iodo PubChem CID: 2759368 IUPAC Name: 2-(3-iodophenyl)acetonitrile SMILES: IC1=CC=CC(CC#N)=C1
| PubChem CID | 2759368 |
|---|---|
| CAS | 130723-54-5 |
| Molecular Weight (g/mol) | 243.05 |
| MDL Number | MFCD00040890 |
| SMILES | IC1=CC=CC(CC#N)=C1 |
| Synonym | 3-iodophenylacetonitrile,2-3-iodophenyl acetonitrile,3-iodobenzyl cyanide,3-iodophenyl acetonitrile,m-iodobenzyl cyanide,3-iodophenyacetonitrile,pubchem12771,3-iodo-1-phenylacetonitrile,acmc-1c0v0,benzeneacetonitrile, 3-iodo |
| IUPAC Name | 2-(3-iodophenyl)acetonitrile |
| InChI Key | LVOKGAHCTHNWIL-UHFFFAOYSA-N |
| Molecular Formula | C8H6IN |
Pentamethylbenzaldehyde 96.0+%, TCI America™
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CAS: 17432-38-1 Molecular Formula: C12H16O Molecular Weight (g/mol): 176.259 MDL Number: MFCD00015560 InChI Key: RWOZGGOKRKSHKN-UHFFFAOYSA-N Synonym: pentamethylbenzaldehyde,pubchem16352,acmc-1busy,3,4-dibenzyloxyphenethylamine hydroxide PubChem CID: 263712 IUPAC Name: 2,3,4,5,6-pentamethylbenzaldehyde SMILES: CC1=C(C(=C(C(=C1C)C)C=O)C)C
| PubChem CID | 263712 |
|---|---|
| CAS | 17432-38-1 |
| Molecular Weight (g/mol) | 176.259 |
| MDL Number | MFCD00015560 |
| SMILES | CC1=C(C(=C(C(=C1C)C)C=O)C)C |
| Synonym | pentamethylbenzaldehyde,pubchem16352,acmc-1busy,3,4-dibenzyloxyphenethylamine hydroxide |
| IUPAC Name | 2,3,4,5,6-pentamethylbenzaldehyde |
| InChI Key | RWOZGGOKRKSHKN-UHFFFAOYSA-N |
| Molecular Formula | C12H16O |
2-Fluoro-6-iodobenzonitrile 98.0+%, TCI America™
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CAS: 79544-29-9 Molecular Formula: C7H3FIN Molecular Weight (g/mol): 247.01 MDL Number: MFCD00015478 InChI Key: FAACTMVXBNSPJA-UHFFFAOYSA-N Synonym: 2-iodo-6-fluorobenzonitrile,2-cyano-3-fluoro-1-iodobenzene,benzonitrile, 2-fluoro-6-iodo,6-fluoro-2-iodobenzenecarbonitrile,2-fluoro-6-iodo-benzonitrile,6-iodo-2-fluorobenzonitrile,pubchem4780,acmc-209php,ksc494e4h,pharmabridge p-2313 PubChem CID: 522722 IUPAC Name: 2-fluoro-6-iodobenzonitrile SMILES: FC1=CC=CC(I)=C1C#N
| PubChem CID | 522722 |
|---|---|
| CAS | 79544-29-9 |
| Molecular Weight (g/mol) | 247.01 |
| MDL Number | MFCD00015478 |
| SMILES | FC1=CC=CC(I)=C1C#N |
| Synonym | 2-iodo-6-fluorobenzonitrile,2-cyano-3-fluoro-1-iodobenzene,benzonitrile, 2-fluoro-6-iodo,6-fluoro-2-iodobenzenecarbonitrile,2-fluoro-6-iodo-benzonitrile,6-iodo-2-fluorobenzonitrile,pubchem4780,acmc-209php,ksc494e4h,pharmabridge p-2313 |
| IUPAC Name | 2-fluoro-6-iodobenzonitrile |
| InChI Key | FAACTMVXBNSPJA-UHFFFAOYSA-N |
| Molecular Formula | C7H3FIN |
2-(Chloromethyl)benzoyl Chloride 98.0+%, TCI America™
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CAS: 42908-86-1 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00152348 InChI Key: TXZFBHYDQGYOIT-UHFFFAOYSA-N PubChem CID: 3016395 IUPAC Name: 2-(chloromethyl)benzoyl chloride SMILES: ClCC1=CC=CC=C1C(Cl)=O
| PubChem CID | 3016395 |
|---|---|
| CAS | 42908-86-1 |
| Molecular Weight (g/mol) | 189.04 |
| MDL Number | MFCD00152348 |
| SMILES | ClCC1=CC=CC=C1C(Cl)=O |
| IUPAC Name | 2-(chloromethyl)benzoyl chloride |
| InChI Key | TXZFBHYDQGYOIT-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O |
3,3',5,5'-Tetra-tert-butyl-2,2'-dihydroxybiphenyl 98.0+%, TCI America™
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CAS: 6390-69-8 Molecular Formula: C28H42O2 Molecular Weight (g/mol): 410.64 MDL Number: MFCD00085287 InChI Key: GDGDLBOVIAWEAD-UHFFFAOYSA-N PubChem CID: 80808 IUPAC Name: 3,3',5,5'-tetra-tert-butyl-[1,1'-biphenyl]-2,2'-diol SMILES: CC(C)(C)C1=CC(=C(O)C(=C1)C1=C(O)C(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C
| PubChem CID | 80808 |
|---|---|
| CAS | 6390-69-8 |
| Molecular Weight (g/mol) | 410.64 |
| MDL Number | MFCD00085287 |
| SMILES | CC(C)(C)C1=CC(=C(O)C(=C1)C1=C(O)C(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C |
| IUPAC Name | 3,3',5,5'-tetra-tert-butyl-[1,1'-biphenyl]-2,2'-diol |
| InChI Key | GDGDLBOVIAWEAD-UHFFFAOYSA-N |
| Molecular Formula | C28H42O2 |
3,4-Dichlorobenzylamine 98.0+%, TCI America™
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CAS: 102-49-8 Molecular Formula: C7H7Cl2N Molecular Weight (g/mol): 176.04 MDL Number: MFCD00008114 InChI Key: IXHNFOOSLAWRBQ-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzylamine,3,4-dichlorophenyl methanamine,benzenemethanamine, 3,4-dichloro,3,4-dichloro-benzylamine,benzylamine, 3,4-dichloro,3,4-dichlorophenyl methylamine,1-3,4-dichlorophenyl methanamine,3,4-dichlorophenyl methyl amine,3,4-dichlorobezylamine PubChem CID: 1608 IUPAC Name: (3,4-dichlorophenyl)methanamine SMILES: C1=CC(=C(C=C1CN)Cl)Cl
| PubChem CID | 1608 |
|---|---|
| CAS | 102-49-8 |
| Molecular Weight (g/mol) | 176.04 |
| MDL Number | MFCD00008114 |
| SMILES | C1=CC(=C(C=C1CN)Cl)Cl |
| Synonym | 3,4-dichlorobenzylamine,3,4-dichlorophenyl methanamine,benzenemethanamine, 3,4-dichloro,3,4-dichloro-benzylamine,benzylamine, 3,4-dichloro,3,4-dichlorophenyl methylamine,1-3,4-dichlorophenyl methanamine,3,4-dichlorophenyl methyl amine,3,4-dichlorobezylamine |
| IUPAC Name | (3,4-dichlorophenyl)methanamine |
| InChI Key | IXHNFOOSLAWRBQ-UHFFFAOYSA-N |
| Molecular Formula | C7H7Cl2N |
(S)-(-)-3,3'-Dibromo-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthol 97.0+%, TCI America™
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CAS: 765278-73-7 Molecular Formula: C20H20Br2O2 Molecular Weight (g/mol): 452.186 MDL Number: MFCD03093977 InChI Key: WDRTXCNGVVLRSZ-UHFFFAOYSA-N Synonym: (S)-(-)-3,3′-Dibromo-5,5′,6,6′,7,7′,8,8′-octahydro-2,2′-dihydroxy-1,1′-binaphthyl PubChem CID: 3251420 IUPAC Name: 3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol SMILES: C1CCC2=C(C(=C(C=C2C1)Br)O)C3=C4CCCCC4=CC(=C3O)Br
| PubChem CID | 3251420 |
|---|---|
| CAS | 765278-73-7 |
| Molecular Weight (g/mol) | 452.186 |
| MDL Number | MFCD03093977 |
| SMILES | C1CCC2=C(C(=C(C=C2C1)Br)O)C3=C4CCCCC4=CC(=C3O)Br |
| Synonym | (S)-(-)-3,3′-Dibromo-5,5′,6,6′,7,7′,8,8′-octahydro-2,2′-dihydroxy-1,1′-binaphthyl |
| IUPAC Name | 3-bromo-1-(3-bromo-2-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol |
| InChI Key | WDRTXCNGVVLRSZ-UHFFFAOYSA-N |
| Molecular Formula | C20H20Br2O2 |
9-Bromo-9-phenylfluorene 96.0+%, TCI America™
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CAS: 55135-66-5 Molecular Formula: C19H13Br Molecular Weight (g/mol): 321.217 MDL Number: MFCD00075522 InChI Key: HYQXNCDBSALQLB-UHFFFAOYSA-N Synonym: 9-bromo-9-phenyl-9h-fluorene,9-brom-9-phenyl-9h-fluoren,zlchem 855,acmc-209ll7,9-bromo-9-phenyl-fluorene,9-bromanyl-9-phenyl-fluorene,hyqxncdbsalqlb-uhfffaoysa,9-bromo-9-phenylfluorene,9h-fluorene, 9-bromo-9-phenyl PubChem CID: 231624 IUPAC Name: 9-bromo-9-phenylfluorene SMILES: C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)Br
| PubChem CID | 231624 |
|---|---|
| CAS | 55135-66-5 |
| Molecular Weight (g/mol) | 321.217 |
| MDL Number | MFCD00075522 |
| SMILES | C1=CC=C(C=C1)C2(C3=CC=CC=C3C4=CC=CC=C42)Br |
| Synonym | 9-bromo-9-phenyl-9h-fluorene,9-brom-9-phenyl-9h-fluoren,zlchem 855,acmc-209ll7,9-bromo-9-phenyl-fluorene,9-bromanyl-9-phenyl-fluorene,hyqxncdbsalqlb-uhfffaoysa,9-bromo-9-phenylfluorene,9h-fluorene, 9-bromo-9-phenyl |
| IUPAC Name | 9-bromo-9-phenylfluorene |
| InChI Key | HYQXNCDBSALQLB-UHFFFAOYSA-N |
| Molecular Formula | C19H13Br |
3-Hydroxybenzyl Alcohol 99.0+%, TCI America™
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CAS: 620-24-6 Molecular Formula: C7H8O2 Molecular Weight (g/mol): 124.139 MDL Number: MFCD00004643 InChI Key: OKVJCVWFVRATSG-UHFFFAOYSA-N Synonym: 3-hydroxybenzyl alcohol,3-hydroxymethyl phenol,benzenemethanol, 3-hydroxy,3-methylolphenol,m-hydroxybenzyl alcohol,3-hydroxybenzenemethanol,benzyl alcohol, m-hydroxy,3-hydroxybenzylalcohol,3-oh-benzyl-alcohol,3-hydroxymethyl-phenol PubChem CID: 102 ChEBI: CHEBI:17069 IUPAC Name: 3-(hydroxymethyl)phenol SMILES: C1=CC(=CC(=C1)O)CO
| PubChem CID | 102 |
|---|---|
| CAS | 620-24-6 |
| Molecular Weight (g/mol) | 124.139 |
| ChEBI | CHEBI:17069 |
| MDL Number | MFCD00004643 |
| SMILES | C1=CC(=CC(=C1)O)CO |
| Synonym | 3-hydroxybenzyl alcohol,3-hydroxymethyl phenol,benzenemethanol, 3-hydroxy,3-methylolphenol,m-hydroxybenzyl alcohol,3-hydroxybenzenemethanol,benzyl alcohol, m-hydroxy,3-hydroxybenzylalcohol,3-oh-benzyl-alcohol,3-hydroxymethyl-phenol |
| IUPAC Name | 3-(hydroxymethyl)phenol |
| InChI Key | OKVJCVWFVRATSG-UHFFFAOYSA-N |
| Molecular Formula | C7H8O2 |
2-Nitrotoluene 99.0+%, TCI America™
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CAS: 88-72-2 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.138 MDL Number: MFCD00007157 InChI Key: PLAZTCDQAHEYBI-UHFFFAOYSA-N Synonym: 2-nitrotoluene,o-nitrotoluene,o-nitrotoluol,o-methylnitrobenzene,benzene, 1-methyl-2-nitro,toluene, o-nitro,2-methyl-1-nitrobenzene,2-nitrotoluol,ortho-nitrotoluol,2-methylnitrobenzene PubChem CID: 6944 ChEBI: CHEBI:33098 IUPAC Name: 1-methyl-2-nitrobenzene SMILES: CC1=CC=CC=C1[N+](=O)[O-]
| PubChem CID | 6944 |
|---|---|
| CAS | 88-72-2 |
| Molecular Weight (g/mol) | 137.138 |
| ChEBI | CHEBI:33098 |
| MDL Number | MFCD00007157 |
| SMILES | CC1=CC=CC=C1[N+](=O)[O-] |
| Synonym | 2-nitrotoluene,o-nitrotoluene,o-nitrotoluol,o-methylnitrobenzene,benzene, 1-methyl-2-nitro,toluene, o-nitro,2-methyl-1-nitrobenzene,2-nitrotoluol,ortho-nitrotoluol,2-methylnitrobenzene |
| IUPAC Name | 1-methyl-2-nitrobenzene |
| InChI Key | PLAZTCDQAHEYBI-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Bis(4-cyanophenyl) Ether 98.0+%, TCI America™
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CAS: 6508-04-9 Molecular Formula: C14H8N2O Molecular Weight (g/mol): 220.23 InChI Key: RSAUOQFEFINEDM-UHFFFAOYSA-N PubChem CID: 81004 IUPAC Name: 4-(4-cyanophenoxy)benzonitrile SMILES: C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)C#N
| PubChem CID | 81004 |
|---|---|
| CAS | 6508-04-9 |
| Molecular Weight (g/mol) | 220.23 |
| SMILES | C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)C#N |
| IUPAC Name | 4-(4-cyanophenoxy)benzonitrile |
| InChI Key | RSAUOQFEFINEDM-UHFFFAOYSA-N |
| Molecular Formula | C14H8N2O |
2,3,6-Trichlorobenzaldehyde 97.0+%, TCI America™
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CAS: 4659-47-6 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00010216 InChI Key: AURSMWWOMOVHBM-UHFFFAOYSA-N Synonym: benzaldehyde, 2,3,6-trichloro,unii-q065lqh643,2,3,6-trichloro benzaldehyde,pubchem17003,acmc-1apnu,2,3,6-trichlorbenzaldehyd,4-07-00-00577 beilstein handbook reference,ksc497o2d,aurora 4807,benzaldehyde,2,3,6-trichloro PubChem CID: 20781 IUPAC Name: 2,3,6-trichlorobenzaldehyde SMILES: C1=CC(=C(C(=C1Cl)C=O)Cl)Cl
| PubChem CID | 20781 |
|---|---|
| CAS | 4659-47-6 |
| Molecular Weight (g/mol) | 209.45 |
| MDL Number | MFCD00010216 |
| SMILES | C1=CC(=C(C(=C1Cl)C=O)Cl)Cl |
| Synonym | benzaldehyde, 2,3,6-trichloro,unii-q065lqh643,2,3,6-trichloro benzaldehyde,pubchem17003,acmc-1apnu,2,3,6-trichlorbenzaldehyd,4-07-00-00577 beilstein handbook reference,ksc497o2d,aurora 4807,benzaldehyde,2,3,6-trichloro |
| IUPAC Name | 2,3,6-trichlorobenzaldehyde |
| InChI Key | AURSMWWOMOVHBM-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O |
3-Chlorobenzenethiol 97.0+%, TCI America™
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CAS: 2037-31-2 Molecular Formula: C6H5ClS Molecular Weight (g/mol): 144.62 MDL Number: MFCD00004839 InChI Key: CQJDYPZUDYXHLM-UHFFFAOYSA-N Synonym: 3-chlorothiophenol,m-chlorothiophenol,benzenethiol, 3-chloro,3-chlorobenzene-1-thiol,m-chlorobenzenethiol,benzenethiol, m-chloro,3-chloro thiophenol,3-chloro-benzenethiol,3-chloromercaptobenzene,m-chlorophenyl mercaptan PubChem CID: 16257 IUPAC Name: 3-chlorobenzene-1-thiol SMILES: SC1=CC=CC(Cl)=C1
| PubChem CID | 16257 |
|---|---|
| CAS | 2037-31-2 |
| Molecular Weight (g/mol) | 144.62 |
| MDL Number | MFCD00004839 |
| SMILES | SC1=CC=CC(Cl)=C1 |
| Synonym | 3-chlorothiophenol,m-chlorothiophenol,benzenethiol, 3-chloro,3-chlorobenzene-1-thiol,m-chlorobenzenethiol,benzenethiol, m-chloro,3-chloro thiophenol,3-chloro-benzenethiol,3-chloromercaptobenzene,m-chlorophenyl mercaptan |
| IUPAC Name | 3-chlorobenzene-1-thiol |
| InChI Key | CQJDYPZUDYXHLM-UHFFFAOYSA-N |
| Molecular Formula | C6H5ClS |
7-Nitro-1-tetralone 98.0+%, TCI America™
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CAS: 40353-34-2 Molecular Formula: C10H9NO3 Molecular Weight (g/mol): 191.186 MDL Number: MFCD00019661 InChI Key: GWAQYWSNCVEJMW-UHFFFAOYSA-N Synonym: 7-nitro-1-tetralone,7-nitrotetralone,7-nitro-3,4-dihydronaphthalen-1 2h-one,1 2h-naphthalenone, 3,4-dihydro-7-nitro,3,4-dihydro-7-nitro-1 2h-naphthalenone,3,4-dihydro-7-nitronaphthalen-1 2h-one,wln: l66 bvt&j inw,7-nitro-2,3,4-trihydronaphthalen-1-one,1 2h-naphthalenone,4-dihydro-7-nitro,7-nitro-tetralone PubChem CID: 38445 IUPAC Name: 7-nitro-3,4-dihydro-2H-naphthalen-1-one SMILES: C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1
| PubChem CID | 38445 |
|---|---|
| CAS | 40353-34-2 |
| Molecular Weight (g/mol) | 191.186 |
| MDL Number | MFCD00019661 |
| SMILES | C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1 |
| Synonym | 7-nitro-1-tetralone,7-nitrotetralone,7-nitro-3,4-dihydronaphthalen-1 2h-one,1 2h-naphthalenone, 3,4-dihydro-7-nitro,3,4-dihydro-7-nitro-1 2h-naphthalenone,3,4-dihydro-7-nitronaphthalen-1 2h-one,wln: l66 bvt&j inw,7-nitro-2,3,4-trihydronaphthalen-1-one,1 2h-naphthalenone,4-dihydro-7-nitro,7-nitro-tetralone |
| IUPAC Name | 7-nitro-3,4-dihydro-2H-naphthalen-1-one |
| InChI Key | GWAQYWSNCVEJMW-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO3 |
2,6-Dibromo-1,5-dihydroxynaphthalene 93.0+%, TCI America™
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CAS: 84-59-3 Molecular Formula: C10H6Br2O2 Molecular Weight (g/mol): 317.964 MDL Number: MFCD00021473 InChI Key: GHJUWGHWJYULLK-UHFFFAOYSA-N Synonym: 2,6-Dibromo-1,5-naphthalenediol PubChem CID: 96260 IUPAC Name: 2,6-dibromonaphthalene-1,5-diol SMILES: C1=CC(=C(C2=C1C(=C(C=C2)Br)O)O)Br
| PubChem CID | 96260 |
|---|---|
| CAS | 84-59-3 |
| Molecular Weight (g/mol) | 317.964 |
| MDL Number | MFCD00021473 |
| SMILES | C1=CC(=C(C2=C1C(=C(C=C2)Br)O)O)Br |
| Synonym | 2,6-Dibromo-1,5-naphthalenediol |
| IUPAC Name | 2,6-dibromonaphthalene-1,5-diol |
| InChI Key | GHJUWGHWJYULLK-UHFFFAOYSA-N |
| Molecular Formula | C10H6Br2O2 |