Benzenoids
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Methyl 4-Hydroxyphenylacetate 98.0+%, TCI America™
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CAS: 14199-15-6 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.176 MDL Number: MFCD00002387 InChI Key: XGDZEDRBLVIUMX-UHFFFAOYSA-N Synonym: methyl 4-hydroxyphenylacetate,methyl 2-4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid methyl ester,benzeneacetic acid, 4-hydroxy-, methyl ester,methyl 4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid methl ester,acetic acid, p-hydroxyphenyl-, methyl ester,p-hydroxyphenylacetic acid methyl ester,4-hydroxybenzeneacetic acid methyl ester,4-hydroxy-phenyl-acetic acid methyl ester PubChem CID: 518900 ChEBI: CHEBI:68078 IUPAC Name: methyl 2-(4-hydroxyphenyl)acetate SMILES: COC(=O)CC1=CC=C(C=C1)O
| PubChem CID | 518900 |
|---|---|
| CAS | 14199-15-6 |
| Molecular Weight (g/mol) | 166.176 |
| ChEBI | CHEBI:68078 |
| MDL Number | MFCD00002387 |
| SMILES | COC(=O)CC1=CC=C(C=C1)O |
| Synonym | methyl 4-hydroxyphenylacetate,methyl 2-4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid methyl ester,benzeneacetic acid, 4-hydroxy-, methyl ester,methyl 4-hydroxyphenyl acetate,4-hydroxyphenylacetic acid methl ester,acetic acid, p-hydroxyphenyl-, methyl ester,p-hydroxyphenylacetic acid methyl ester,4-hydroxybenzeneacetic acid methyl ester,4-hydroxy-phenyl-acetic acid methyl ester |
| IUPAC Name | methyl 2-(4-hydroxyphenyl)acetate |
| InChI Key | XGDZEDRBLVIUMX-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
2,2-Bis(2-hydroxy-5-biphenylyl)propane 98.0+%, TCI America™
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CAS: 24038-68-4 Molecular Formula: C27H24O2 Molecular Weight (g/mol): 380.487 InChI Key: BKTRENAPTCBBFA-UHFFFAOYSA-N Synonym: 5,5′C-Isopropylidenebis(2-hydroxybiphenyl), 4,4′C-Isopropylidenebis(2-phenylphenol) PubChem CID: 13059052 IUPAC Name: 4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol SMILES: CC(C)(C1=CC(=C(C=C1)O)C2=CC=CC=C2)C3=CC(=C(C=C3)O)C4=CC=CC=C4
| PubChem CID | 13059052 |
|---|---|
| CAS | 24038-68-4 |
| Molecular Weight (g/mol) | 380.487 |
| SMILES | CC(C)(C1=CC(=C(C=C1)O)C2=CC=CC=C2)C3=CC(=C(C=C3)O)C4=CC=CC=C4 |
| Synonym | 5,5′C-Isopropylidenebis(2-hydroxybiphenyl), 4,4′C-Isopropylidenebis(2-phenylphenol) |
| IUPAC Name | 4-[2-(4-hydroxy-3-phenylphenyl)propan-2-yl]-2-phenylphenol |
| InChI Key | BKTRENAPTCBBFA-UHFFFAOYSA-N |
| Molecular Formula | C27H24O2 |
2-Bromo-4,6-dinitroaniline 98.0+%, TCI America™
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CAS: 1817-73-8 Molecular Formula: C6H4BrN3O4 Molecular Weight (g/mol): 262.019 MDL Number: MFCD00007146 InChI Key: KWMDHCLJYMVBNS-UHFFFAOYSA-N Synonym: 6-bromo-2,4-dinitroaniline,bromo dna,2,4-dinitro-6-bromoaniline,benzenamine, 2-bromo-4,6-dinitro,2-bromo-4,6-dinitroaminobenzene,2,4-dinitro-6-bromanilin,aniline, 2,4-dinitro-6-bromo,aniline, 2-bromo-4,6-dinitro,ccris 820,2,4-dinitro-6-bromanilin czech PubChem CID: 15752 IUPAC Name: 2-bromo-4,6-dinitroaniline SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)[N+](=O)[O-]
| PubChem CID | 15752 |
|---|---|
| CAS | 1817-73-8 |
| Molecular Weight (g/mol) | 262.019 |
| MDL Number | MFCD00007146 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)[N+](=O)[O-] |
| Synonym | 6-bromo-2,4-dinitroaniline,bromo dna,2,4-dinitro-6-bromoaniline,benzenamine, 2-bromo-4,6-dinitro,2-bromo-4,6-dinitroaminobenzene,2,4-dinitro-6-bromanilin,aniline, 2,4-dinitro-6-bromo,aniline, 2-bromo-4,6-dinitro,ccris 820,2,4-dinitro-6-bromanilin czech |
| IUPAC Name | 2-bromo-4,6-dinitroaniline |
| InChI Key | KWMDHCLJYMVBNS-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrN3O4 |
3-Bromo-4-fluorobenzyl Alcohol 98.0+%, TCI America™
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CAS: 77771-03-0 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.026 MDL Number: MFCD00143093 InChI Key: HNVVROFWONXXGO-UHFFFAOYSA-N Synonym: 3-bromo-4-fluorobenzyl alcohol,3-bromo-4-fluorophenyl methanol,3-bromo-4-fluorobenzylalcohol,3-bromo-4-fluoro-phenyl-methanol,3-bromo-4-fluorophenyl methan-1-ol,pubchem4884,4-fluoro-3-bromobenzyl alcohol,3-bromo-4-fluoro-benzyl alcohol,4-fluoro-3-bromo-benzyl alcohol,3-bromo-4-fluoro benzyl alcohol PubChem CID: 2773351 IUPAC Name: (3-bromo-4-fluorophenyl)methanol SMILES: C1=CC(=C(C=C1CO)Br)F
| PubChem CID | 2773351 |
|---|---|
| CAS | 77771-03-0 |
| Molecular Weight (g/mol) | 205.026 |
| MDL Number | MFCD00143093 |
| SMILES | C1=CC(=C(C=C1CO)Br)F |
| Synonym | 3-bromo-4-fluorobenzyl alcohol,3-bromo-4-fluorophenyl methanol,3-bromo-4-fluorobenzylalcohol,3-bromo-4-fluoro-phenyl-methanol,3-bromo-4-fluorophenyl methan-1-ol,pubchem4884,4-fluoro-3-bromobenzyl alcohol,3-bromo-4-fluoro-benzyl alcohol,4-fluoro-3-bromo-benzyl alcohol,3-bromo-4-fluoro benzyl alcohol |
| IUPAC Name | (3-bromo-4-fluorophenyl)methanol |
| InChI Key | HNVVROFWONXXGO-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrFO |
4-(Methylthio)benzaldehyde 97.0+%, TCI America™
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CAS: 3446-89-7 Molecular Formula: C8H8OS Molecular Weight (g/mol): 152.211 MDL Number: MFCD00006948 InChI Key: QRVYABWJVXXOTN-UHFFFAOYSA-N Synonym: 4-methylthio benzaldehyde,benzaldehyde, 4-methylthio,4-methylsulfanyl benzaldehyde,4-methylmercaptobenzaldehyde,p-methylthio benzaldehyde,p-methylthiobenzaldehyde,unii-1tvq11biy8,4-aldehyde thioanisole,p-methylmercaptobenzaldehyde PubChem CID: 76985 IUPAC Name: 4-methylsulfanylbenzaldehyde SMILES: CSC1=CC=C(C=C1)C=O
| PubChem CID | 76985 |
|---|---|
| CAS | 3446-89-7 |
| Molecular Weight (g/mol) | 152.211 |
| MDL Number | MFCD00006948 |
| SMILES | CSC1=CC=C(C=C1)C=O |
| Synonym | 4-methylthio benzaldehyde,benzaldehyde, 4-methylthio,4-methylsulfanyl benzaldehyde,4-methylmercaptobenzaldehyde,p-methylthio benzaldehyde,p-methylthiobenzaldehyde,unii-1tvq11biy8,4-aldehyde thioanisole,p-methylmercaptobenzaldehyde |
| IUPAC Name | 4-methylsulfanylbenzaldehyde |
| InChI Key | QRVYABWJVXXOTN-UHFFFAOYSA-N |
| Molecular Formula | C8H8OS |
4-Amino-2,5-xylenol 97.0+%, TCI America™
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CAS: 3096-71-7 Molecular Formula: C8H11NO Molecular Weight (g/mol): 137.182 InChI Key: JSWVCUXQICMATE-UHFFFAOYSA-N Synonym: 4-amino-2,5-xylenol,phenol, 4-amino-2,5-dimethyl,unii-rf4r93709t,2,5-dimethyl-4-aminophenol,4-amino-2,5-dimethyl-phenol,4-hydroxy-2,5-dimethylaniline,acmc-209hjo,2,5-dimethy-4-aminophenol,2,5-xylenol, 4-amino,ksc495q0r PubChem CID: 76544 IUPAC Name: 4-amino-2,5-dimethylphenol SMILES: CC1=CC(=C(C=C1O)C)N
| PubChem CID | 76544 |
|---|---|
| CAS | 3096-71-7 |
| Molecular Weight (g/mol) | 137.182 |
| SMILES | CC1=CC(=C(C=C1O)C)N |
| Synonym | 4-amino-2,5-xylenol,phenol, 4-amino-2,5-dimethyl,unii-rf4r93709t,2,5-dimethyl-4-aminophenol,4-amino-2,5-dimethyl-phenol,4-hydroxy-2,5-dimethylaniline,acmc-209hjo,2,5-dimethy-4-aminophenol,2,5-xylenol, 4-amino,ksc495q0r |
| IUPAC Name | 4-amino-2,5-dimethylphenol |
| InChI Key | JSWVCUXQICMATE-UHFFFAOYSA-N |
| Molecular Formula | C8H11NO |
2-Aminobenzenethiol 97.0+%, TCI America™
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CAS: 137-07-5 Molecular Formula: C6H7NS Molecular Weight (g/mol): 125.19 MDL Number: MFCD00007702 InChI Key: VRVRGVPWCUEOGV-UHFFFAOYSA-N Synonym: 2-aminothiophenol,o-aminothiophenol,2-mercaptoaniline,o-mercaptoaniline,o-aminobenzenethiol,2-mercaptaniline,benzenethiol, 2-amino,2-amino thiophenol,1-amino-2-mercaptobenzene,2-aminobenzene-1-thiol PubChem CID: 8713 IUPAC Name: 2-aminobenzene-1-thiol SMILES: NC1=CC=CC=C1S
| PubChem CID | 8713 |
|---|---|
| CAS | 137-07-5 |
| Molecular Weight (g/mol) | 125.19 |
| MDL Number | MFCD00007702 |
| SMILES | NC1=CC=CC=C1S |
| Synonym | 2-aminothiophenol,o-aminothiophenol,2-mercaptoaniline,o-mercaptoaniline,o-aminobenzenethiol,2-mercaptaniline,benzenethiol, 2-amino,2-amino thiophenol,1-amino-2-mercaptobenzene,2-aminobenzene-1-thiol |
| IUPAC Name | 2-aminobenzene-1-thiol |
| InChI Key | VRVRGVPWCUEOGV-UHFFFAOYSA-N |
| Molecular Formula | C6H7NS |
(Benzhydrylthio)acetic Acid 98.0+%, TCI America™
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CAS: 63547-22-8 Molecular Formula: C15H13O2S Molecular Weight (g/mol): 257.33 MDL Number: MFCD05262040 InChI Key: HTHFEDOFDBZPRX-UHFFFAOYSA-M Synonym: (Diphenylmethylthio)acetic Acid PubChem CID: 2077886 IUPAC Name: 2-[(diphenylmethyl)sulfanyl]acetate SMILES: [O-]C(=O)CSC(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2077886 |
|---|---|
| CAS | 63547-22-8 |
| Molecular Weight (g/mol) | 257.33 |
| MDL Number | MFCD05262040 |
| SMILES | [O-]C(=O)CSC(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | (Diphenylmethylthio)acetic Acid |
| IUPAC Name | 2-[(diphenylmethyl)sulfanyl]acetate |
| InChI Key | HTHFEDOFDBZPRX-UHFFFAOYSA-M |
| Molecular Formula | C15H13O2S |
o-Toluenethiol 97.0+%, TCI America™
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CAS: 137-06-4 Molecular Formula: C7H8S Molecular Weight (g/mol): 124.20 MDL Number: MFCD00004838 InChI Key: LXUNZSDDXMPKLP-UHFFFAOYSA-N Synonym: o-toluenethiol,o-thiocresol,2-methylthiophenol,2-thiocresol,2-toluenethiol,o-tolyl mercaptan,o-mercaptotoluene,o-methylthiophenol,o-methylbenzenethiol,benzenethiol, 2-methyl PubChem CID: 8712 IUPAC Name: 2-methylbenzene-1-thiol SMILES: CC1=CC=CC=C1S
| PubChem CID | 8712 |
|---|---|
| CAS | 137-06-4 |
| Molecular Weight (g/mol) | 124.20 |
| MDL Number | MFCD00004838 |
| SMILES | CC1=CC=CC=C1S |
| Synonym | o-toluenethiol,o-thiocresol,2-methylthiophenol,2-thiocresol,2-toluenethiol,o-tolyl mercaptan,o-mercaptotoluene,o-methylthiophenol,o-methylbenzenethiol,benzenethiol, 2-methyl |
| IUPAC Name | 2-methylbenzene-1-thiol |
| InChI Key | LXUNZSDDXMPKLP-UHFFFAOYSA-N |
| Molecular Formula | C7H8S |
4-Amylphenol 98.0+%, TCI America™
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CAS: 14938-35-3 Molecular Formula: C11H16O Molecular Weight (g/mol): 164.25 MDL Number: MFCD00020211 InChI Key: ZNPSUQQXTRRSBM-UHFFFAOYSA-N Synonym: 4-n-pentylphenol,4-amylphenol,phenol, 4-pentyl,4-n-amylphenol,p-pentylphenol,p-amylphenol,phenol, p-pentyl,4-pentyl-phenol,amyl p-hydroxybenzene,p-n-amylphenol PubChem CID: 26975 ChEBI: CHEBI:34441 IUPAC Name: 4-pentylphenol SMILES: CCCCCC1=CC=C(O)C=C1
| PubChem CID | 26975 |
|---|---|
| CAS | 14938-35-3 |
| Molecular Weight (g/mol) | 164.25 |
| ChEBI | CHEBI:34441 |
| MDL Number | MFCD00020211 |
| SMILES | CCCCCC1=CC=C(O)C=C1 |
| Synonym | 4-n-pentylphenol,4-amylphenol,phenol, 4-pentyl,4-n-amylphenol,p-pentylphenol,p-amylphenol,phenol, p-pentyl,4-pentyl-phenol,amyl p-hydroxybenzene,p-n-amylphenol |
| IUPAC Name | 4-pentylphenol |
| InChI Key | ZNPSUQQXTRRSBM-UHFFFAOYSA-N |
| Molecular Formula | C11H16O |
N-Benzylethylenediamine 97.0+%, TCI America™
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CAS: 9-4-4152 Molecular Formula: C9H14N2 Molecular Weight (g/mol): 150.23 MDL Number: MFCD00041896 InChI Key: ACYBVNYNIZTUIL-UHFFFAOYSA-N Synonym: n-benzylethylenediamine,n1-benzylethane-1,2-diamine,2-aminoethyl benzyl amine,ethylenediamine, n-benzyl,1,2-ethanediamine, n-phenylmethyl,n-2-aminoethyl-n-benzylamine,2-benzylaminoethylamine,n-benzylethane-1,2-diamine,1,2-ethanediamine, n1-phenylmethyl,2-aminoethyl benzylamine PubChem CID: 77801 IUPAC Name: N'-benzylethane-1,2-diamine SMILES: C1=CC=C(C=C1)CNCCN
| PubChem CID | 77801 |
|---|---|
| CAS | 9-4-4152 |
| Molecular Weight (g/mol) | 150.23 |
| MDL Number | MFCD00041896 |
| SMILES | C1=CC=C(C=C1)CNCCN |
| Synonym | n-benzylethylenediamine,n1-benzylethane-1,2-diamine,2-aminoethyl benzyl amine,ethylenediamine, n-benzyl,1,2-ethanediamine, n-phenylmethyl,n-2-aminoethyl-n-benzylamine,2-benzylaminoethylamine,n-benzylethane-1,2-diamine,1,2-ethanediamine, n1-phenylmethyl,2-aminoethyl benzylamine |
| IUPAC Name | N'-benzylethane-1,2-diamine |
| InChI Key | ACYBVNYNIZTUIL-UHFFFAOYSA-N |
| Molecular Formula | C9H14N2 |
3-Bromophenyl Isocyanate 98.0+%, TCI America™
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CAS: 23138-55-8 Molecular Formula: C7H4BrNO Molecular Weight (g/mol): 198.02 MDL Number: MFCD00002014 InChI Key: VQVBCZQTXSHJGF-UHFFFAOYSA-N Synonym: 3-bromophenyl isocyanate,3-bromophenylisocyanate,benzene, 1-bromo-3-isocyanato,isocyanic acid 3-bromophenyl ester,3-bromobenzenisocyanate,m-bromophenylisocyanate,3-bromophenyliso-cyanate,3-bromo phenyl isocyanate,3-bromo-phenyl isocyanate,acmc-209g1f PubChem CID: 141001 IUPAC Name: 1-bromo-3-isocyanatobenzene SMILES: BrC1=CC=CC(=C1)N=C=O
| PubChem CID | 141001 |
|---|---|
| CAS | 23138-55-8 |
| Molecular Weight (g/mol) | 198.02 |
| MDL Number | MFCD00002014 |
| SMILES | BrC1=CC=CC(=C1)N=C=O |
| Synonym | 3-bromophenyl isocyanate,3-bromophenylisocyanate,benzene, 1-bromo-3-isocyanato,isocyanic acid 3-bromophenyl ester,3-bromobenzenisocyanate,m-bromophenylisocyanate,3-bromophenyliso-cyanate,3-bromo phenyl isocyanate,3-bromo-phenyl isocyanate,acmc-209g1f |
| IUPAC Name | 1-bromo-3-isocyanatobenzene |
| InChI Key | VQVBCZQTXSHJGF-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO |
N-Benzyl-N-nitroso-p-toluenesulfonamide 98.0+%, TCI America™
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CAS: 33528-13-1 Molecular Formula: C14H14N2O3S Molecular Weight (g/mol): 290.337 MDL Number: MFCD00216617 InChI Key: ZXELPGWSCCGNDS-UHFFFAOYSA-N PubChem CID: 4118076 IUPAC Name: N-benzyl-4-methyl-N-nitrosobenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)N=O
| PubChem CID | 4118076 |
|---|---|
| CAS | 33528-13-1 |
| Molecular Weight (g/mol) | 290.337 |
| MDL Number | MFCD00216617 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC=C2)N=O |
| IUPAC Name | N-benzyl-4-methyl-N-nitrosobenzenesulfonamide |
| InChI Key | ZXELPGWSCCGNDS-UHFFFAOYSA-N |
| Molecular Formula | C14H14N2O3S |
2-Bromo-5-(trifluoromethoxy)phenol 98.0+%, TCI America™
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CAS: 205371-26-2 Molecular Formula: C7H4BrF3O2 Molecular Weight (g/mol): 257.01 MDL Number: MFCD06660162 InChI Key: RHRRKORKKIVAGJ-UHFFFAOYSA-N PubChem CID: 17750742 IUPAC Name: 2-bromo-5-(trifluoromethoxy)phenol SMILES: OC1=C(Br)C=CC(OC(F)(F)F)=C1
| PubChem CID | 17750742 |
|---|---|
| CAS | 205371-26-2 |
| Molecular Weight (g/mol) | 257.01 |
| MDL Number | MFCD06660162 |
| SMILES | OC1=C(Br)C=CC(OC(F)(F)F)=C1 |
| IUPAC Name | 2-bromo-5-(trifluoromethoxy)phenol |
| InChI Key | RHRRKORKKIVAGJ-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3O2 |
(Triphenylphosphoranylidene)acetaldehyde 98.0+%, TCI America™
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CAS: 2136-75-6 Molecular Formula: C20H17OP Molecular Weight (g/mol): 304.329 MDL Number: MFCD00006994 InChI Key: CQCAYWAIRTVXIY-UHFFFAOYSA-N Synonym: 2-triphenylphosphoranylidene acetaldehyde,formylmethylene triphenylphosphorane,triphenylphosphoranylidene acetaldehyde,formylmethylenetriphenylphosphorane,acetaldehyde, triphenylphosphoranylidene,2-triphenyl-??-phosphanylidene acetaldehyde,acmc-209fjg,ksc492c5l PubChem CID: 75051 IUPAC Name: 2-(triphenyl-$l^{5}-phosphanylidene)acetaldehyde SMILES: C1=CC=C(C=C1)P(=CC=O)(C2=CC=CC=C2)C3=CC=CC=C3
| PubChem CID | 75051 |
|---|---|
| CAS | 2136-75-6 |
| Molecular Weight (g/mol) | 304.329 |
| MDL Number | MFCD00006994 |
| SMILES | C1=CC=C(C=C1)P(=CC=O)(C2=CC=CC=C2)C3=CC=CC=C3 |
| Synonym | 2-triphenylphosphoranylidene acetaldehyde,formylmethylene triphenylphosphorane,triphenylphosphoranylidene acetaldehyde,formylmethylenetriphenylphosphorane,acetaldehyde, triphenylphosphoranylidene,2-triphenyl-??-phosphanylidene acetaldehyde,acmc-209fjg,ksc492c5l |
| IUPAC Name | 2-(triphenyl-$l^{5}-phosphanylidene)acetaldehyde |
| InChI Key | CQCAYWAIRTVXIY-UHFFFAOYSA-N |
| Molecular Formula | C20H17OP |