Benzenoids
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3-Amino-2-naphthoic Acid 97.0+%, TCI America™
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CAS: 5959-52-4 Molecular Formula: C11H9NO2 Molecular Weight (g/mol): 187.198 MDL Number: MFCD00004115 InChI Key: XFXOLBNQYFRSLQ-UHFFFAOYSA-N Synonym: 3-amino-2-naphthoic acid,2-amino-3-naphthoic acid,3-aminoisonaphthoic acid,2-naphthalenecarboxylic acid, 3-amino,2-amino-3-carboxynaphthalene,2-naphthoic acid, 3-amino,3-amino-2-naphthalenecarboxylic acid,unii-iv5z0phl5d,iv5z0phl5d,3-amino-naphthalene-2-carboxylic acid PubChem CID: 22244 IUPAC Name: 3-aminonaphthalene-2-carboxylic acid SMILES: C1=CC=C2C=C(C(=CC2=C1)C(=O)O)N
| PubChem CID | 22244 |
|---|---|
| CAS | 5959-52-4 |
| Molecular Weight (g/mol) | 187.198 |
| MDL Number | MFCD00004115 |
| SMILES | C1=CC=C2C=C(C(=CC2=C1)C(=O)O)N |
| Synonym | 3-amino-2-naphthoic acid,2-amino-3-naphthoic acid,3-aminoisonaphthoic acid,2-naphthalenecarboxylic acid, 3-amino,2-amino-3-carboxynaphthalene,2-naphthoic acid, 3-amino,3-amino-2-naphthalenecarboxylic acid,unii-iv5z0phl5d,iv5z0phl5d,3-amino-naphthalene-2-carboxylic acid |
| IUPAC Name | 3-aminonaphthalene-2-carboxylic acid |
| InChI Key | XFXOLBNQYFRSLQ-UHFFFAOYSA-N |
| Molecular Formula | C11H9NO2 |
4-Ethoxybenzyl Alcohol 97.0+%, TCI America™
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CAS: 6214-44-4 Molecular Formula: C9H12O2 Molecular Weight (g/mol): 152.19 MDL Number: MFCD00004655 InChI Key: UKFLLQIRBABMKF-UHFFFAOYSA-N Synonym: 4-ethoxybenzyl alcohol,4-ethoxyphenyl methanol,p-ethoxybenzyl alcohol,4-ethoxybenzylalcohol,benzenemethanol, 4-ethoxy,4-ethoxy-benzyl alcohol,benzenemethanol,4-ethoxy,4-ethoxyphenyl methanol #,4-ethoxyphenyl methan-1-ol,4-ethyloxy phenyl methanol PubChem CID: 80345 IUPAC Name: (4-ethoxyphenyl)methanol SMILES: CCOC1=CC=C(CO)C=C1
| PubChem CID | 80345 |
|---|---|
| CAS | 6214-44-4 |
| Molecular Weight (g/mol) | 152.19 |
| MDL Number | MFCD00004655 |
| SMILES | CCOC1=CC=C(CO)C=C1 |
| Synonym | 4-ethoxybenzyl alcohol,4-ethoxyphenyl methanol,p-ethoxybenzyl alcohol,4-ethoxybenzylalcohol,benzenemethanol, 4-ethoxy,4-ethoxy-benzyl alcohol,benzenemethanol,4-ethoxy,4-ethoxyphenyl methanol #,4-ethoxyphenyl methan-1-ol,4-ethyloxy phenyl methanol |
| IUPAC Name | (4-ethoxyphenyl)methanol |
| InChI Key | UKFLLQIRBABMKF-UHFFFAOYSA-N |
| Molecular Formula | C9H12O2 |
5-Bromo-2-methoxytoluene 98.0+%, TCI America™
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CAS: 14804-31-0 Molecular Formula: C8H9BrO Molecular Weight (g/mol): 201.063 MDL Number: MFCD01321139 InChI Key: UDLRGQOHGYWLCS-UHFFFAOYSA-N Synonym: 4-bromo-2-methylanisole,5-bromo-2-methoxytoluene,benzene, 4-bromo-1-methoxy-2-methyl,4-bromo-1-methoxy-2-methyl-benzene,2-methyl-4-bromoanisole,4-bromo2-methylanisole,acmc-1cfej,4-bromo2-methyl-anisole,4-bromo-2-methyl anisole,4-bromo-2-methyl-anisole PubChem CID: 608315 IUPAC Name: 4-bromo-1-methoxy-2-methylbenzene SMILES: CC1=C(C=CC(=C1)Br)OC
| PubChem CID | 608315 |
|---|---|
| CAS | 14804-31-0 |
| Molecular Weight (g/mol) | 201.063 |
| MDL Number | MFCD01321139 |
| SMILES | CC1=C(C=CC(=C1)Br)OC |
| Synonym | 4-bromo-2-methylanisole,5-bromo-2-methoxytoluene,benzene, 4-bromo-1-methoxy-2-methyl,4-bromo-1-methoxy-2-methyl-benzene,2-methyl-4-bromoanisole,4-bromo2-methylanisole,acmc-1cfej,4-bromo2-methyl-anisole,4-bromo-2-methyl anisole,4-bromo-2-methyl-anisole |
| IUPAC Name | 4-bromo-1-methoxy-2-methylbenzene |
| InChI Key | UDLRGQOHGYWLCS-UHFFFAOYSA-N |
| Molecular Formula | C8H9BrO |
4'-Bromo-4-biphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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CAS: 480996-05-2 Molecular Formula: C12H10BBrO2 Molecular Weight (g/mol): 276.924 MDL Number: MFCD02251652 InChI Key: HQAGDFJHKPSZHT-UHFFFAOYSA-N Synonym: 4-(4-Bromophenyl)phenylboronic Acid, 4-(4-Bromophenyl)benzeneboronic Acid PubChem CID: 3841607 IUPAC Name: [4-(4-bromophenyl)phenyl]boronic acid SMILES: B(C1=CC=C(C=C1)C2=CC=C(C=C2)Br)(O)O
| PubChem CID | 3841607 |
|---|---|
| CAS | 480996-05-2 |
| Molecular Weight (g/mol) | 276.924 |
| MDL Number | MFCD02251652 |
| SMILES | B(C1=CC=C(C=C1)C2=CC=C(C=C2)Br)(O)O |
| Synonym | 4-(4-Bromophenyl)phenylboronic Acid, 4-(4-Bromophenyl)benzeneboronic Acid |
| IUPAC Name | [4-(4-bromophenyl)phenyl]boronic acid |
| InChI Key | HQAGDFJHKPSZHT-UHFFFAOYSA-N |
| Molecular Formula | C12H10BBrO2 |
4-Bromo-2,5-dichlorophenol 98.0+%, TCI America™
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CAS: 1940-42-7 Molecular Formula: C6H3BrCl2O Molecular Weight (g/mol): 241.893 InChI Key: HWWKEEKUMAZJLL-UHFFFAOYSA-N PubChem CID: 16022 IUPAC Name: 4-bromo-2,5-dichlorophenol SMILES: C1=C(C(=CC(=C1Cl)Br)Cl)O
| PubChem CID | 16022 |
|---|---|
| CAS | 1940-42-7 |
| Molecular Weight (g/mol) | 241.893 |
| SMILES | C1=C(C(=CC(=C1Cl)Br)Cl)O |
| IUPAC Name | 4-bromo-2,5-dichlorophenol |
| InChI Key | HWWKEEKUMAZJLL-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrCl2O |
1,2,3,4,5,6,7,8-Octahydrophenanthrene 98.0+%, TCI America™
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CAS: 5325-97-3 Molecular Formula: C14H18 Molecular Weight (g/mol): 186.30 MDL Number: MFCD00058943 InChI Key: YSZLFGZFQTTZIQ-UHFFFAOYSA-N PubChem CID: 79221 IUPAC Name: 1,2,3,4,5,6,7,8-octahydrophenanthrene SMILES: C1CCC2=C(C1)C=CC1=C2CCCC1
| PubChem CID | 79221 |
|---|---|
| CAS | 5325-97-3 |
| Molecular Weight (g/mol) | 186.30 |
| MDL Number | MFCD00058943 |
| SMILES | C1CCC2=C(C1)C=CC1=C2CCCC1 |
| IUPAC Name | 1,2,3,4,5,6,7,8-octahydrophenanthrene |
| InChI Key | YSZLFGZFQTTZIQ-UHFFFAOYSA-N |
| Molecular Formula | C14H18 |
1-Naphthol 98.0+%, TCI America™
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CAS: 90-15-3 Molecular Formula: C10H8O Molecular Weight (g/mol): 144.173 MDL Number: MFCD00003930 InChI Key: KJCVRFUGPWSIIH-UHFFFAOYSA-N Synonym: 1-naphthol,1-naphthalenol,alpha-naphthol,1-hydroxynaphthalene,naphthol,fouramine ern,fourrine ern,tertral ern,furro er,basf ursol ern PubChem CID: 7005 ChEBI: CHEBI:10319 IUPAC Name: naphthalen-1-ol SMILES: C1=CC=C2C(=C1)C=CC=C2O
| PubChem CID | 7005 |
|---|---|
| CAS | 90-15-3 |
| Molecular Weight (g/mol) | 144.173 |
| ChEBI | CHEBI:10319 |
| MDL Number | MFCD00003930 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2O |
| Synonym | 1-naphthol,1-naphthalenol,alpha-naphthol,1-hydroxynaphthalene,naphthol,fouramine ern,fourrine ern,tertral ern,furro er,basf ursol ern |
| IUPAC Name | naphthalen-1-ol |
| InChI Key | KJCVRFUGPWSIIH-UHFFFAOYSA-N |
| Molecular Formula | C10H8O |
4-Nitrobenzyl Alcohol 98.0+%, TCI America™
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CAS: 619-73-8 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.14 MDL Number: MFCD00007376 InChI Key: JKTYGPATCNUWKN-UHFFFAOYSA-N Synonym: 4-nitrobenzyl alcohol,4-nitrophenyl methanol,p-nitrobenzyl alcohol,benzenemethanol, 4-nitro,4-nitrobenzenemethanol,p-hydroxymethyl nitrobenzene,benzyl alcohol, p-nitro,paranitrobenzyl alcohol,4-nitrobenzylalcohol,unii-86btj68y9m PubChem CID: 69275 ChEBI: CHEBI:41214 IUPAC Name: (4-nitrophenyl)methanol SMILES: OCC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 69275 |
|---|---|
| CAS | 619-73-8 |
| Molecular Weight (g/mol) | 153.14 |
| ChEBI | CHEBI:41214 |
| MDL Number | MFCD00007376 |
| SMILES | OCC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | 4-nitrobenzyl alcohol,4-nitrophenyl methanol,p-nitrobenzyl alcohol,benzenemethanol, 4-nitro,4-nitrobenzenemethanol,p-hydroxymethyl nitrobenzene,benzyl alcohol, p-nitro,paranitrobenzyl alcohol,4-nitrobenzylalcohol,unii-86btj68y9m |
| IUPAC Name | (4-nitrophenyl)methanol |
| InChI Key | JKTYGPATCNUWKN-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
3-(Pentafluorophenyl)pentafluoro-1-propene 98.0+%, TCI America™
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CAS: 67899-41-6 Molecular Formula: C9F10 Molecular Weight (g/mol): 298.083 MDL Number: MFCD00153225 InChI Key: WRHBYJDZKRNITP-UHFFFAOYSA-N Synonym: perfluoro allylbenzene,perfluoroallylbenzene,3-pentafluorophenyl pentafluoro-1-propene,3-pentafluorophenyl pentafluoroprop-1-ene,1,2,3,4,5-pentafluoro-6-1,1,2,3,3-pentafluoroprop-2-enyl benzene,1,2,3,4,5-pentafluoro-6-1,1,2,3,3-pentafluoroprop-2-en-1-yl benzene,1,2,3,4,5-pentafluoro-6-pentafluoroprop-2-en-1-yl benzene,benzene,1,2,3,4,5-pentafluoro-6-1,1,2,3,3-pentafluoro-2-propen-1-yl,acmc-1b8oa,1-pentafluoroallyl pentafluorobenzene PubChem CID: 2775989 IUPAC Name: 1,2,3,4,5-pentafluoro-6-(1,1,2,3,3-pentafluoroprop-2-enyl)benzene SMILES: C1(=C(C(=C(C(=C1F)F)F)F)F)C(C(=C(F)F)F)(F)F
| PubChem CID | 2775989 |
|---|---|
| CAS | 67899-41-6 |
| Molecular Weight (g/mol) | 298.083 |
| MDL Number | MFCD00153225 |
| SMILES | C1(=C(C(=C(C(=C1F)F)F)F)F)C(C(=C(F)F)F)(F)F |
| Synonym | perfluoro allylbenzene,perfluoroallylbenzene,3-pentafluorophenyl pentafluoro-1-propene,3-pentafluorophenyl pentafluoroprop-1-ene,1,2,3,4,5-pentafluoro-6-1,1,2,3,3-pentafluoroprop-2-enyl benzene,1,2,3,4,5-pentafluoro-6-1,1,2,3,3-pentafluoroprop-2-en-1-yl benzene,1,2,3,4,5-pentafluoro-6-pentafluoroprop-2-en-1-yl benzene,benzene,1,2,3,4,5-pentafluoro-6-1,1,2,3,3-pentafluoro-2-propen-1-yl,acmc-1b8oa,1-pentafluoroallyl pentafluorobenzene |
| IUPAC Name | 1,2,3,4,5-pentafluoro-6-(1,1,2,3,3-pentafluoroprop-2-enyl)benzene |
| InChI Key | WRHBYJDZKRNITP-UHFFFAOYSA-N |
| Molecular Formula | C9F10 |
Perylene (purified by sublimation) 99.0+%, TCI America™
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CAS: 198-55-0 Molecular Formula: C20H12 Molecular Weight (g/mol): 252.316 MDL Number: MFCD00004142 InChI Key: CSHWQDPOILHKBI-UHFFFAOYSA-N Synonym: peri-dinaphthalene,perilene,dibenz de,kl anthracene,alpha-perylene,perylen,unii-5qd5427un7,ccris 1231,perylen-1-yl,perylen-2-yl PubChem CID: 9142 ChEBI: CHEBI:29861 IUPAC Name: perylene SMILES: C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2
| PubChem CID | 9142 |
|---|---|
| CAS | 198-55-0 |
| Molecular Weight (g/mol) | 252.316 |
| ChEBI | CHEBI:29861 |
| MDL Number | MFCD00004142 |
| SMILES | C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2 |
| Synonym | peri-dinaphthalene,perilene,dibenz de,kl anthracene,alpha-perylene,perylen,unii-5qd5427un7,ccris 1231,perylen-1-yl,perylen-2-yl |
| IUPAC Name | perylene |
| InChI Key | CSHWQDPOILHKBI-UHFFFAOYSA-N |
| Molecular Formula | C20H12 |
1-Pyrenecarboxaldehyde 98.0+%, TCI America™
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CAS: 3029-19-4 Molecular Formula: C17H10O Molecular Weight (g/mol): 230.266 MDL Number: MFCD00004139 InChI Key: RCYFOPUXRMOLQM-UHFFFAOYSA-N Synonym: 1-pyrenecarboxaldehyde,1-formylpyrene,1-pyrenealdehyde,pyrenecarboxaldehyde,3-formylpyrene,3-pyrenealdehyde,3-pyrenylaldehyde,pyrene-1-aldehyde,3-pyrenecarboxaldehyde,1-pyrenecarbaldehyde PubChem CID: 232848 IUPAC Name: pyrene-1-carbaldehyde SMILES: C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C=O
| PubChem CID | 232848 |
|---|---|
| CAS | 3029-19-4 |
| Molecular Weight (g/mol) | 230.266 |
| MDL Number | MFCD00004139 |
| SMILES | C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C=O |
| Synonym | 1-pyrenecarboxaldehyde,1-formylpyrene,1-pyrenealdehyde,pyrenecarboxaldehyde,3-formylpyrene,3-pyrenealdehyde,3-pyrenylaldehyde,pyrene-1-aldehyde,3-pyrenecarboxaldehyde,1-pyrenecarbaldehyde |
| IUPAC Name | pyrene-1-carbaldehyde |
| InChI Key | RCYFOPUXRMOLQM-UHFFFAOYSA-N |
| Molecular Formula | C17H10O |
Pararosaniline Hydrochloride 95.0+%, TCI America™
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CAS: 569-61-9 Molecular Formula: C19H18ClN3 Molecular Weight (g/mol): 323.824 MDL Number: MFCD00001657 InChI Key: JUQPZRLQQYSMEQ-UHFFFAOYSA-N Synonym: basic red 9,pararosaniline hydrochloride,parafuchsin,pararosaniline chloride,parafuchsine,p-fuchsin,basic fuchsin,ci basic red 9,c.i. basic red 9,parafuksin PubChem CID: 11292 ChEBI: CHEBI:87663 IUPAC Name: 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride SMILES: C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl
| PubChem CID | 11292 |
|---|---|
| CAS | 569-61-9 |
| Molecular Weight (g/mol) | 323.824 |
| ChEBI | CHEBI:87663 |
| MDL Number | MFCD00001657 |
| SMILES | C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N.Cl |
| Synonym | basic red 9,pararosaniline hydrochloride,parafuchsin,pararosaniline chloride,parafuchsine,p-fuchsin,basic fuchsin,ci basic red 9,c.i. basic red 9,parafuksin |
| IUPAC Name | 4-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride |
| InChI Key | JUQPZRLQQYSMEQ-UHFFFAOYSA-N |
| Molecular Formula | C19H18ClN3 |
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 |
(S)-O-Desmethylraclopride 98.0+%, TCI America™
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CAS: 119670-11-0 Molecular Formula: C14H18Cl2N2O3 Molecular Weight (g/mol): 333.209 MDL Number: MFCD02179385 InChI Key: DPQOMEPZWBXAMA-QMMMGPOBSA-N Synonym: (S)-3,5-Dichloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dihydroxybenzamide PubChem CID: 10947574 IUPAC Name: 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dihydroxybenzamide SMILES: CCN1CCCC1CNC(=O)C2=C(C(=CC(=C2O)Cl)Cl)O
| PubChem CID | 10947574 |
|---|---|
| CAS | 119670-11-0 |
| Molecular Weight (g/mol) | 333.209 |
| MDL Number | MFCD02179385 |
| SMILES | CCN1CCCC1CNC(=O)C2=C(C(=CC(=C2O)Cl)Cl)O |
| Synonym | (S)-3,5-Dichloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dihydroxybenzamide |
| IUPAC Name | 3,5-dichloro-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dihydroxybenzamide |
| InChI Key | DPQOMEPZWBXAMA-QMMMGPOBSA-N |
| Molecular Formula | C14H18Cl2N2O3 |
Calix[6]arene 95.0+%, TCI America™
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CAS: 96107-95-8 Molecular Formula: C42H36O6 Molecular Weight (g/mol): 636.744 MDL Number: MFCD00143083 InChI Key: JLSWUKWFQCVKCL-UHFFFAOYSA-N Synonym: calix 6 arene,hexahydroxycalix 6 arene PubChem CID: 2724885 SMILES: C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5O)CC6=CC=CC(=C6O)CC7=CC=CC1=C7O)O)O)O
| PubChem CID | 2724885 |
|---|---|
| CAS | 96107-95-8 |
| Molecular Weight (g/mol) | 636.744 |
| MDL Number | MFCD00143083 |
| SMILES | C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5O)CC6=CC=CC(=C6O)CC7=CC=CC1=C7O)O)O)O |
| Synonym | calix 6 arene,hexahydroxycalix 6 arene |
| InChI Key | JLSWUKWFQCVKCL-UHFFFAOYSA-N |
| Molecular Formula | C42H36O6 |