Benzenoids
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Sulfacetamide Sodium Salt Hydrate 98.0+%, TCI America™
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CAS: 127-56-0 Molecular Formula: C8H9N2NaO3S Molecular Weight (g/mol): 236.22 MDL Number: MFCD00149555 InChI Key: PQMSFAORUFMASU-UHFFFAOYSA-M Synonym: N-Acetyl-4-aminobenzenesulfonamide Sodium Salt, N-Acetylsulfanilamide Sodium Salt PubChem CID: 4022878 ChEBI: CHEBI:9327 IUPAC Name: sodium acetyl(4-aminobenzenesulfonyl)azanide SMILES: [Na+].CC(=O)[N-]S(=O)(=O)C1=CC=C(N)C=C1
| PubChem CID | 4022878 |
|---|---|
| CAS | 127-56-0 |
| Molecular Weight (g/mol) | 236.22 |
| ChEBI | CHEBI:9327 |
| MDL Number | MFCD00149555 |
| SMILES | [Na+].CC(=O)[N-]S(=O)(=O)C1=CC=C(N)C=C1 |
| Synonym | N-Acetyl-4-aminobenzenesulfonamide Sodium Salt, N-Acetylsulfanilamide Sodium Salt |
| IUPAC Name | sodium acetyl(4-aminobenzenesulfonyl)azanide |
| InChI Key | PQMSFAORUFMASU-UHFFFAOYSA-M |
| Molecular Formula | C8H9N2NaO3S |
trans-2-[3-(4-tert-Butylphenyl)-2-methyl-2-propenylidene]malononitrile 98.0+%, TCI America™
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CAS: 300364-84-5 Molecular Formula: C17H18N2 Molecular Weight (g/mol): 250.345 MDL Number: MFCD03453260 InChI Key: OIASAVWSBWJWBR-UKTHLTGXSA-N Synonym: DCTB PubChem CID: 6382826 ChEBI: CHEBI:64343 IUPAC Name: 2-[(E)-3-(4-tert-butylphenyl)-2-methylprop-2-enylidene]propanedinitrile SMILES: CC(=CC1=CC=C(C=C1)C(C)(C)C)C=C(C#N)C#N
| PubChem CID | 6382826 |
|---|---|
| CAS | 300364-84-5 |
| Molecular Weight (g/mol) | 250.345 |
| ChEBI | CHEBI:64343 |
| MDL Number | MFCD03453260 |
| SMILES | CC(=CC1=CC=C(C=C1)C(C)(C)C)C=C(C#N)C#N |
| Synonym | DCTB |
| IUPAC Name | 2-[(E)-3-(4-tert-butylphenyl)-2-methylprop-2-enylidene]propanedinitrile |
| InChI Key | OIASAVWSBWJWBR-UKTHLTGXSA-N |
| Molecular Formula | C17H18N2 |
Bis(2-hydroxyethyl) Terephthalate 85.0+%, TCI America™
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CAS: 959-26-2 Molecular Formula: C12H14O6 Molecular Weight (g/mol): 254.238 MDL Number: MFCD00081066 InChI Key: QPKOBORKPHRBPS-UHFFFAOYSA-N Synonym: Terephthalic Acid Bis(2-hydroxyethyl) Ester, BHET PubChem CID: 13739 IUPAC Name: bis(2-hydroxyethyl) benzene-1,4-dicarboxylate SMILES: C1=CC(=CC=C1C(=O)OCCO)C(=O)OCCO
| PubChem CID | 13739 |
|---|---|
| CAS | 959-26-2 |
| Molecular Weight (g/mol) | 254.238 |
| MDL Number | MFCD00081066 |
| SMILES | C1=CC(=CC=C1C(=O)OCCO)C(=O)OCCO |
| Synonym | Terephthalic Acid Bis(2-hydroxyethyl) Ester, BHET |
| IUPAC Name | bis(2-hydroxyethyl) benzene-1,4-dicarboxylate |
| InChI Key | QPKOBORKPHRBPS-UHFFFAOYSA-N |
| Molecular Formula | C12H14O6 |
5-Hydroxy-1,4-naphthoquinone 96.0+%, TCI America™
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CAS: 481-39-0 Molecular Formula: C10H6O3 Molecular Weight (g/mol): 174.16 MDL Number: MFCD00001684 InChI Key: KQPYUDDGWXQXHS-UHFFFAOYSA-N Synonym: juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon PubChem CID: 3806 ChEBI: CHEBI:15794 IUPAC Name: 5-hydroxy-1,4-dihydronaphthalene-1,4-dione SMILES: OC1=CC=CC2=C1C(=O)C=CC2=O
| PubChem CID | 3806 |
|---|---|
| CAS | 481-39-0 |
| Molecular Weight (g/mol) | 174.16 |
| ChEBI | CHEBI:15794 |
| MDL Number | MFCD00001684 |
| SMILES | OC1=CC=CC2=C1C(=O)C=CC2=O |
| Synonym | juglone,5-hydroxy-1,4-naphthoquinone,5-hydroxy-1,4-naphthalenedione,regianin,walnut extract,juglon,nucin,5-hydroxynaphthoquinone,akhnot,yuglon |
| IUPAC Name | 5-hydroxy-1,4-dihydronaphthalene-1,4-dione |
| InChI Key | KQPYUDDGWXQXHS-UHFFFAOYSA-N |
| Molecular Formula | C10H6O3 |
2-Aminofluorene 98.0+%, TCI America™
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CAS: 153-78-6 Molecular Formula: C13H11N Molecular Weight (g/mol): 181.238 MDL Number: MFCD00001125 InChI Key: CFRFHWQYWJMEJN-UHFFFAOYSA-N Synonym: 2-aminofluorene,2-fluorenamine,aminofluoren,2-fluoreneamine,fluorene, 2-amino,fluoren-2-amine,2-fluorenylamine,2-fluroenylamine,fluoren-2-ylamine,aminofluoren german PubChem CID: 1539 IUPAC Name: 9H-fluoren-2-amine SMILES: C1C2=CC=CC=C2C3=C1C=C(C=C3)N
| PubChem CID | 1539 |
|---|---|
| CAS | 153-78-6 |
| Molecular Weight (g/mol) | 181.238 |
| MDL Number | MFCD00001125 |
| SMILES | C1C2=CC=CC=C2C3=C1C=C(C=C3)N |
| Synonym | 2-aminofluorene,2-fluorenamine,aminofluoren,2-fluoreneamine,fluorene, 2-amino,fluoren-2-amine,2-fluorenylamine,2-fluroenylamine,fluoren-2-ylamine,aminofluoren german |
| IUPAC Name | 9H-fluoren-2-amine |
| InChI Key | CFRFHWQYWJMEJN-UHFFFAOYSA-N |
| Molecular Formula | C13H11N |
Resveratrol 99.0+%, TCI America™
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CAS: 501-36-0 Molecular Formula: C14H12O3 Molecular Weight (g/mol): 228.247 MDL Number: MFCD00133799 InChI Key: LUKBXSAWLPMMSZ-OWOJBTEDSA-N Synonym: resveratrol,trans-resveratrol,3,4',5-trihydroxystilbene,3,5,4'-trihydroxystilbene,e-resveratrol,3,4',5-stilbenetriol,e-5-4-hydroxystyryl benzene-1,3-diol,resvida,3,4',5-trihydroxy-trans-stilbene,5-e-2-4-hydroxyphenyl ethenyl benzene-1,3-diol PubChem CID: 445154 ChEBI: CHEBI:45713 IUPAC Name: 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol SMILES: C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O
| PubChem CID | 445154 |
|---|---|
| CAS | 501-36-0 |
| Molecular Weight (g/mol) | 228.247 |
| ChEBI | CHEBI:45713 |
| MDL Number | MFCD00133799 |
| SMILES | C1=CC(=CC=C1C=CC2=CC(=CC(=C2)O)O)O |
| Synonym | resveratrol,trans-resveratrol,3,4',5-trihydroxystilbene,3,5,4'-trihydroxystilbene,e-resveratrol,3,4',5-stilbenetriol,e-5-4-hydroxystyryl benzene-1,3-diol,resvida,3,4',5-trihydroxy-trans-stilbene,5-e-2-4-hydroxyphenyl ethenyl benzene-1,3-diol |
| IUPAC Name | 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol |
| InChI Key | LUKBXSAWLPMMSZ-OWOJBTEDSA-N |
| Molecular Formula | C14H12O3 |
N-(2,4-Dinitrophenyl)glycine 98.0+%, TCI America™
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CAS: 1084-76-0 Molecular Formula: C8H7N3O6 Molecular Weight (g/mol): 241.159 MDL Number: MFCD00024400 InChI Key: RQPREKYEHBAOAR-UHFFFAOYSA-N Synonym: N-Dnp-glycine, Dnp-Gly-OH PubChem CID: 14135 IUPAC Name: 2-(2,4-dinitroanilino)acetic acid SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCC(=O)O
| PubChem CID | 14135 |
|---|---|
| CAS | 1084-76-0 |
| Molecular Weight (g/mol) | 241.159 |
| MDL Number | MFCD00024400 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCC(=O)O |
| Synonym | N-Dnp-glycine, Dnp-Gly-OH |
| IUPAC Name | 2-(2,4-dinitroanilino)acetic acid |
| InChI Key | RQPREKYEHBAOAR-UHFFFAOYSA-N |
| Molecular Formula | C8H7N3O6 |
Polyethylene Glycol Mono-4-octylphenyl Ether (n=approx. 10), TCI America™
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CAS: 9002-93-1 Molecular Formula: C16H26O2 Molecular Weight (g/mol): 250.38 MDL Number: MFCD00132505 InChI Key: JYCQQPHGFMYQCF-UHFFFAOYSA-N Synonym: triton x-100,triton x,octoxynol,preceptin,triton x-45,triton x 45,octoxynol-3,octoxynol-9,hydrol sw,triton x 100 PubChem CID: 5590 IUPAC Name: 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethan-1-ol SMILES: CC(C)(C)CC(C)(C)C1=CC=C(OCCO)C=C1
| PubChem CID | 5590 |
|---|---|
| CAS | 9002-93-1 |
| Molecular Weight (g/mol) | 250.38 |
| MDL Number | MFCD00132505 |
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(OCCO)C=C1 |
| Synonym | triton x-100,triton x,octoxynol,preceptin,triton x-45,triton x 45,octoxynol-3,octoxynol-9,hydrol sw,triton x 100 |
| IUPAC Name | 2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethan-1-ol |
| InChI Key | JYCQQPHGFMYQCF-UHFFFAOYSA-N |
| Molecular Formula | C16H26O2 |
trans-1,2-Bis(phenylsulfonyl)ethylene 98.0+%, TCI America™
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CAS: 963-16-6 Molecular Formula: C14H12O4S2 Molecular Weight (g/mol): 308.366 MDL Number: MFCD00066528 InChI Key: YGBXMKGCEHIWMO-VAWYXSNFSA-N PubChem CID: 5367099 IUPAC Name: [(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene SMILES: C1=CC=C(C=C1)S(=O)(=O)C=CS(=O)(=O)C2=CC=CC=C2
| PubChem CID | 5367099 |
|---|---|
| CAS | 963-16-6 |
| Molecular Weight (g/mol) | 308.366 |
| MDL Number | MFCD00066528 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C=CS(=O)(=O)C2=CC=CC=C2 |
| IUPAC Name | [(E)-2-(benzenesulfonyl)ethenyl]sulfonylbenzene |
| InChI Key | YGBXMKGCEHIWMO-VAWYXSNFSA-N |
| Molecular Formula | C14H12O4S2 |
4-Methoxybenzyl Alcohol 98.0+%, TCI America™
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CAS: 105-13-5 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004653 InChI Key: MSHFRERJPWKJFX-UHFFFAOYSA-N Synonym: 4-methoxybenzyl alcohol,4-methoxyphenyl methanol,anise alcohol,anisyl alcohol,p-anisyl alcohol,p-methoxybenzyl alcohol,benzenemethanol, 4-methoxy,anisic alcohol,p-anisol alcohol,4-methoxybenzenemethanol PubChem CID: 7738 ChEBI: CHEBI:86918 IUPAC Name: (4-methoxyphenyl)methanol SMILES: COC1=CC=C(CO)C=C1
| PubChem CID | 7738 |
|---|---|
| CAS | 105-13-5 |
| Molecular Weight (g/mol) | 138.17 |
| ChEBI | CHEBI:86918 |
| MDL Number | MFCD00004653 |
| SMILES | COC1=CC=C(CO)C=C1 |
| Synonym | 4-methoxybenzyl alcohol,4-methoxyphenyl methanol,anise alcohol,anisyl alcohol,p-anisyl alcohol,p-methoxybenzyl alcohol,benzenemethanol, 4-methoxy,anisic alcohol,p-anisol alcohol,4-methoxybenzenemethanol |
| IUPAC Name | (4-methoxyphenyl)methanol |
| InChI Key | MSHFRERJPWKJFX-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
4-Chloro-3,5-dinitrobenzotrifluoride 98.0+%, TCI America™
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CAS: 393-75-9 Molecular Formula: C7H2ClF3N2O4 Molecular Weight (g/mol): 270.548 MDL Number: MFCD00007068 InChI Key: HFHAVERNVFNSHL-UHFFFAOYSA-N Synonym: 4-chloro-3,5-dinitrobenzotrifluoride,2-chloro-1,3-dinitro-5-trifluoromethyl benzene,3,5-dinitro-4-chlorobenzotrifluoride,benzene, 2-chloro-1,3-dinitro-5-trifluoromethyl,1-chloro-2,6-dinitro-4-trifluoromethyl benzene,1,3-dinitro-2-chloro-5-trifluoromethylbenzene,cdnt,chloralin,2,6-dinitro-4-trifluoromethylchlorobenzene,trifluoromethyl-3,5-dinitro-4-chlorobenzene PubChem CID: 9809 IUPAC Name: 2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(F)(F)F
| PubChem CID | 9809 |
|---|---|
| CAS | 393-75-9 |
| Molecular Weight (g/mol) | 270.548 |
| MDL Number | MFCD00007068 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)[N+](=O)[O-])C(F)(F)F |
| Synonym | 4-chloro-3,5-dinitrobenzotrifluoride,2-chloro-1,3-dinitro-5-trifluoromethyl benzene,3,5-dinitro-4-chlorobenzotrifluoride,benzene, 2-chloro-1,3-dinitro-5-trifluoromethyl,1-chloro-2,6-dinitro-4-trifluoromethyl benzene,1,3-dinitro-2-chloro-5-trifluoromethylbenzene,cdnt,chloralin,2,6-dinitro-4-trifluoromethylchlorobenzene,trifluoromethyl-3,5-dinitro-4-chlorobenzene |
| IUPAC Name | 2-chloro-1,3-dinitro-5-(trifluoromethyl)benzene |
| InChI Key | HFHAVERNVFNSHL-UHFFFAOYSA-N |
| Molecular Formula | C7H2ClF3N2O4 |
2-Iodoaniline 98.0+%, TCI America™
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CAS: 615-43-0 Molecular Formula: C6H6IN Molecular Weight (g/mol): 219.03 MDL Number: MFCD00007680 InChI Key: UBPDKIDWEADHPP-UHFFFAOYSA-N Synonym: o-iodoaniline,benzenamine, 2-iodo,2-iodo aniline,2-iodobenzenamine,o-aminoiodobenzene,aniline, o-iodo,aniline, 2-iodo,benzenamine, iodo,2-iodo-phenylamine,2-iodophenylamine PubChem CID: 11995 IUPAC Name: 2-iodoaniline SMILES: NC1=CC=CC=C1I
| PubChem CID | 11995 |
|---|---|
| CAS | 615-43-0 |
| Molecular Weight (g/mol) | 219.03 |
| MDL Number | MFCD00007680 |
| SMILES | NC1=CC=CC=C1I |
| Synonym | o-iodoaniline,benzenamine, 2-iodo,2-iodo aniline,2-iodobenzenamine,o-aminoiodobenzene,aniline, o-iodo,aniline, 2-iodo,benzenamine, iodo,2-iodo-phenylamine,2-iodophenylamine |
| IUPAC Name | 2-iodoaniline |
| InChI Key | UBPDKIDWEADHPP-UHFFFAOYSA-N |
| Molecular Formula | C6H6IN |
Benzyltriphenylphosphonium Chloride 98.0+%, TCI America™
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CAS: 1100-88-5 Molecular Formula: C25H22ClP Molecular Weight (g/mol): 388.87 MDL Number: MFCD00011913 InChI Key: USFRYJRPHFMVBZ-UHFFFAOYSA-M Synonym: benzyltriphenylphosphonium chloride,triphenylbenzylphosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride,benzyltriphenylphosphanium chloride,benzyl triphenylphosphonium chloride,benzyl-triphenyl-phosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride 1:1,triphenylbenzylphosphine, chloride,benzyl triphenyl phosphoniumchlorid PubChem CID: 70671 IUPAC Name: benzyltriphenylphosphanium chloride SMILES: [Cl-].C(C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 70671 |
|---|---|
| CAS | 1100-88-5 |
| Molecular Weight (g/mol) | 388.87 |
| MDL Number | MFCD00011913 |
| SMILES | [Cl-].C(C1=CC=CC=C1)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | benzyltriphenylphosphonium chloride,triphenylbenzylphosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride,benzyltriphenylphosphanium chloride,benzyl triphenylphosphonium chloride,benzyl-triphenyl-phosphonium chloride,phosphonium, triphenyl phenylmethyl-, chloride 1:1,triphenylbenzylphosphine, chloride,benzyl triphenyl phosphoniumchlorid |
| IUPAC Name | benzyltriphenylphosphanium chloride |
| InChI Key | USFRYJRPHFMVBZ-UHFFFAOYSA-M |
| Molecular Formula | C25H22ClP |
Bis(2,4-dinitrophenyl) Oxalate 98.0+%, TCI America™
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CAS: 16536-30-4 Molecular Formula: C14H6N4O12 Molecular Weight (g/mol): 422.218 MDL Number: MFCD00010712 InChI Key: CBZOGAWUNMFXFQ-UHFFFAOYSA-N Synonym: DNPO, Oxalic Acid Bis(2,4-dinitrophenyl) Ester PubChem CID: 3080704 IUPAC Name: bis(2,4-dinitrophenyl) oxalate SMILES: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]
| PubChem CID | 3080704 |
|---|---|
| CAS | 16536-30-4 |
| Molecular Weight (g/mol) | 422.218 |
| MDL Number | MFCD00010712 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC(=O)C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| Synonym | DNPO, Oxalic Acid Bis(2,4-dinitrophenyl) Ester |
| IUPAC Name | bis(2,4-dinitrophenyl) oxalate |
| InChI Key | CBZOGAWUNMFXFQ-UHFFFAOYSA-N |
| Molecular Formula | C14H6N4O12 |
4-(Trifluoromethyl)salicylic Acid 98.0+%, TCI America™
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CAS: 328-90-5 Molecular Formula: C8H5F3O3 Molecular Weight (g/mol): 206.12 MDL Number: MFCD01529657 InChI Key: XMLFPUBZFSJWCN-UHFFFAOYSA-N Synonym: 2-Hydroxy-4-(trifluoromethyl)benzoic Acid PubChem CID: 164578 IUPAC Name: 2-hydroxy-4-(trifluoromethyl)benzoic acid SMILES: OC(=O)C1=CC=C(C=C1O)C(F)(F)F
| PubChem CID | 164578 |
|---|---|
| CAS | 328-90-5 |
| Molecular Weight (g/mol) | 206.12 |
| MDL Number | MFCD01529657 |
| SMILES | OC(=O)C1=CC=C(C=C1O)C(F)(F)F |
| Synonym | 2-Hydroxy-4-(trifluoromethyl)benzoic Acid |
| IUPAC Name | 2-hydroxy-4-(trifluoromethyl)benzoic acid |
| InChI Key | XMLFPUBZFSJWCN-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O3 |