Benzenoids
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Methyl Thiosalicylate 98.0+%, TCI America™
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CAS: 4892-02-8 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00060678 InChI Key: BAQGCWNPCFABAY-UHFFFAOYSA-N Synonym: methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester PubChem CID: 21009 IUPAC Name: methyl 2-sulfanylbenzoate SMILES: COC(=O)C1=CC=CC=C1S
| PubChem CID | 21009 |
|---|---|
| CAS | 4892-02-8 |
| Molecular Weight (g/mol) | 168.21 |
| MDL Number | MFCD00060678 |
| SMILES | COC(=O)C1=CC=CC=C1S |
| Synonym | methyl thiosalicylate,methyl 2-mercaptobenzoate,methyl o-mercaptobenzoate,usaf ma-15,benzoic acid, 2-mercapto-, methyl ester,methyl-o-mercaptobenzoate,methyl-2-mercaptobenzoate,benzoic acid, o-mercapto-, methyl ester,2-methoxycarbonyl thiophenol,2-mercaptobenzoic acid methyl ester |
| IUPAC Name | methyl 2-sulfanylbenzoate |
| InChI Key | BAQGCWNPCFABAY-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2S |
4-Methoxy-2-methyldiphenylamine 97.0+%, TCI America™
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CAS: 41317-15-1 Molecular Formula: C14H15NO Molecular Weight (g/mol): 213.28 MDL Number: MFCD00272619 InChI Key: CYMPUOGZUXAIMY-UHFFFAOYSA-N PubChem CID: 162461 IUPAC Name: 4-methoxy-2-methyl-N-phenylaniline SMILES: CC1=C(C=CC(=C1)OC)NC2=CC=CC=C2
| PubChem CID | 162461 |
|---|---|
| CAS | 41317-15-1 |
| Molecular Weight (g/mol) | 213.28 |
| MDL Number | MFCD00272619 |
| SMILES | CC1=C(C=CC(=C1)OC)NC2=CC=CC=C2 |
| IUPAC Name | 4-methoxy-2-methyl-N-phenylaniline |
| InChI Key | CYMPUOGZUXAIMY-UHFFFAOYSA-N |
| Molecular Formula | C14H15NO |
1-Bromo-4-hexylbenzene 90.0+%, TCI America™
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CAS: 23703-22-2 Molecular Formula: C12H17Br Molecular Weight (g/mol): 241.17 MDL Number: MFCD00061114 InChI Key: MXHOLIARBWJKCR-UHFFFAOYSA-N Synonym: 1-4-bromophenyl hexane,4-hexylbromobenzene,1-bromo-4-n-hexylbenzene,4-bromo-1-hexylbenzene,benzene, 1-bromo-4-hexyl,4-bromo-n-hexylbenzene,4-hexylphenyl bromide,1-bromo-4-hexyl-benzene,acmc-1cb1g,# PubChem CID: 598186 IUPAC Name: 1-bromo-4-hexylbenzene SMILES: CCCCCCC1=CC=C(Br)C=C1
| PubChem CID | 598186 |
|---|---|
| CAS | 23703-22-2 |
| Molecular Weight (g/mol) | 241.17 |
| MDL Number | MFCD00061114 |
| SMILES | CCCCCCC1=CC=C(Br)C=C1 |
| Synonym | 1-4-bromophenyl hexane,4-hexylbromobenzene,1-bromo-4-n-hexylbenzene,4-bromo-1-hexylbenzene,benzene, 1-bromo-4-hexyl,4-bromo-n-hexylbenzene,4-hexylphenyl bromide,1-bromo-4-hexyl-benzene,acmc-1cb1g,# |
| IUPAC Name | 1-bromo-4-hexylbenzene |
| InChI Key | MXHOLIARBWJKCR-UHFFFAOYSA-N |
| Molecular Formula | C12H17Br |
o-Toluidine 99.0+%, TCI America™
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CAS: 95-53-4 Molecular Formula: C7H9N Molecular Weight (g/mol): 107.156 MDL Number: MFCD00007730 InChI Key: RNVCVTLRINQCPJ-UHFFFAOYSA-N Synonym: o-toluidine,2-toluidine,o-tolylamine,2-aminotoluene,2-methylbenzenamine,ortho-toluidine,o-methylaniline,benzenamine, 2-methyl,o-aminotoluene,o-methylbenzenamine PubChem CID: 7242 ChEBI: CHEBI:66892 IUPAC Name: 2-methylaniline SMILES: CC1=CC=CC=C1N
| PubChem CID | 7242 |
|---|---|
| CAS | 95-53-4 |
| Molecular Weight (g/mol) | 107.156 |
| ChEBI | CHEBI:66892 |
| MDL Number | MFCD00007730 |
| SMILES | CC1=CC=CC=C1N |
| Synonym | o-toluidine,2-toluidine,o-tolylamine,2-aminotoluene,2-methylbenzenamine,ortho-toluidine,o-methylaniline,benzenamine, 2-methyl,o-aminotoluene,o-methylbenzenamine |
| IUPAC Name | 2-methylaniline |
| InChI Key | RNVCVTLRINQCPJ-UHFFFAOYSA-N |
| Molecular Formula | C7H9N |
Bis[4-(3-aminophenoxy)phenyl] Sulfone 98.0+%, TCI America™
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CAS: 30203-11-3 Molecular Formula: C24H20N2O4S Molecular Weight (g/mol): 432.49 MDL Number: MFCD00054738 InChI Key: WCXGOVYROJJXHA-UHFFFAOYSA-N Synonym: 3,3'-sulfonylbis 4,1-phenylene bis oxy dianiline,bis 4-3-aminophenoxy phenyl sulfone,4,4'-bis 3-aminophenoxy diphenyl sulfone,benzenamine, 3,3'-sulfonylbis 4,1-phenyleneoxy bis,4,4-bis 3-aminophenoxy diphenyl sulfone,3-4-4-3-aminophenoxy benzenesulfonyl phenoxy aniline,4-3-aminophenoxy-1-4-3-aminophenoxy phenyl sulfonyl benzene,acmc-209hds,3,3'-sulfonylbis 4,1-phenyleneoxy dianiline PubChem CID: 121657 IUPAC Name: 3-{4-[4-(3-aminophenoxy)benzenesulfonyl]phenoxy}aniline SMILES: NC1=CC(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(OC3=CC(N)=CC=C3)C=C2)=CC=C1
| PubChem CID | 121657 |
|---|---|
| CAS | 30203-11-3 |
| Molecular Weight (g/mol) | 432.49 |
| MDL Number | MFCD00054738 |
| SMILES | NC1=CC(OC2=CC=C(C=C2)S(=O)(=O)C2=CC=C(OC3=CC(N)=CC=C3)C=C2)=CC=C1 |
| Synonym | 3,3'-sulfonylbis 4,1-phenylene bis oxy dianiline,bis 4-3-aminophenoxy phenyl sulfone,4,4'-bis 3-aminophenoxy diphenyl sulfone,benzenamine, 3,3'-sulfonylbis 4,1-phenyleneoxy bis,4,4-bis 3-aminophenoxy diphenyl sulfone,3-4-4-3-aminophenoxy benzenesulfonyl phenoxy aniline,4-3-aminophenoxy-1-4-3-aminophenoxy phenyl sulfonyl benzene,acmc-209hds,3,3'-sulfonylbis 4,1-phenyleneoxy dianiline |
| IUPAC Name | 3-{4-[4-(3-aminophenoxy)benzenesulfonyl]phenoxy}aniline |
| InChI Key | WCXGOVYROJJXHA-UHFFFAOYSA-N |
| Molecular Formula | C24H20N2O4S |
1-Bromo-3,5-difluorobenzene 98.0+%, TCI America™
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CAS: 461-96-1 Molecular Formula: C6H3BrF2 Molecular Weight (g/mol): 192.99 MDL Number: MFCD00010305 InChI Key: JHLKSIOJYMGSMB-UHFFFAOYSA-N Synonym: 3,5-difluorobromobenzene,1-bromo-3,5-difluoro-benzene,1-bromo-3,5-difluoro benzene,benzene, 1-bromo-3,5-difluoro,3,5-difluoro-bromobenzene,pubchem1042,acmc-1ae0k,3,5-difluoro bromobenzene,bromo-3,5-difluorobenzene,3,5-difluorophenyl bromide PubChem CID: 136313 IUPAC Name: 1-bromo-3,5-difluorobenzene SMILES: FC1=CC(Br)=CC(F)=C1
| PubChem CID | 136313 |
|---|---|
| CAS | 461-96-1 |
| Molecular Weight (g/mol) | 192.99 |
| MDL Number | MFCD00010305 |
| SMILES | FC1=CC(Br)=CC(F)=C1 |
| Synonym | 3,5-difluorobromobenzene,1-bromo-3,5-difluoro-benzene,1-bromo-3,5-difluoro benzene,benzene, 1-bromo-3,5-difluoro,3,5-difluoro-bromobenzene,pubchem1042,acmc-1ae0k,3,5-difluoro bromobenzene,bromo-3,5-difluorobenzene,3,5-difluorophenyl bromide |
| IUPAC Name | 1-bromo-3,5-difluorobenzene |
| InChI Key | JHLKSIOJYMGSMB-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF2 |
Benzophenone Imine 95.0+%, TCI America™
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CAS: 1013-88-3 Molecular Formula: C13H11N Molecular Weight (g/mol): 181.238 MDL Number: MFCD00001760 InChI Key: SXZIXHOMFPUIRK-UHFFFAOYSA-N Synonym: benzophenone imine,benzophenoneimine,benzhydrylideneamine,1,1-diphenylmethanimine,unii-ejj21na7vi,benzhydrylimine,benzophenonimine,diphenylmethanimineimine,1,1-diphenylmethylimine,benzenemethanimine, .alpha.-phenyl PubChem CID: 136809 IUPAC Name: diphenylmethanimine SMILES: C1=CC=C(C=C1)C(=N)C2=CC=CC=C2
| PubChem CID | 136809 |
|---|---|
| CAS | 1013-88-3 |
| Molecular Weight (g/mol) | 181.238 |
| MDL Number | MFCD00001760 |
| SMILES | C1=CC=C(C=C1)C(=N)C2=CC=CC=C2 |
| Synonym | benzophenone imine,benzophenoneimine,benzhydrylideneamine,1,1-diphenylmethanimine,unii-ejj21na7vi,benzhydrylimine,benzophenonimine,diphenylmethanimineimine,1,1-diphenylmethylimine,benzenemethanimine, .alpha.-phenyl |
| IUPAC Name | diphenylmethanimine |
| InChI Key | SXZIXHOMFPUIRK-UHFFFAOYSA-N |
| Molecular Formula | C13H11N |
Fullerene C60 99.0+%, TCI America™
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CAS: 99685-96-8 Molecular Formula: C60 Molecular Weight (g/mol): 720.66 MDL Number: MFCD00151408 InChI Key: XMWRBQBLMFGWIX-UHFFFAOYSA-N Synonym: fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih PubChem CID: 123591 ChEBI: CHEBI:33128 IUPAC Name: (C60-Ih)[5,6]fullerene SMILES: C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41
| PubChem CID | 123591 |
|---|---|
| CAS | 99685-96-8 |
| Molecular Weight (g/mol) | 720.66 |
| ChEBI | CHEBI:33128 |
| MDL Number | MFCD00151408 |
| SMILES | C12=C3C4=C5C1=C1C6=C7C2=C2C8=C3C3=C9C4=C4C%10=C5C5=C1C1=C6C6=C%11C7=C2C2=C7C8=C3C3=C8C9=C4C4=C9C%10=C5C5=C1C1=C6C6=C%11C2=C2C7=C3C3=C8C4=C4C9=C5C1=C1C6=C2C3=C41 |
| Synonym | fullerene,buckminsterfullerene,buckyball,fullerene 60,60 fullerene,footballene,fullerene-c60,5,6 fullerene-c60-ih |
| IUPAC Name | (C60-Ih)[5,6]fullerene |
| InChI Key | XMWRBQBLMFGWIX-UHFFFAOYSA-N |
| Molecular Formula | C60 |
2,2-Bis(4-glycidyloxyphenyl)propane 85.0+%, TCI America™
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CAS: 1675-54-3 Molecular Formula: C21H24O4 Molecular Weight (g/mol): 340.419 MDL Number: MFCD00080480 InChI Key: LCFVJGUPQDGYKZ-UHFFFAOYSA-N Synonym: bisphenol a diglycidyl ether,2,2-bis 4-glycidyloxyphenyl propane,epoxide a,epophen el 5,badge,dian diglycidyl ether,diglycidyl bisphenol a,epi-rez 510,bpdge,dgeba PubChem CID: 2286 ChEBI: CHEBI:34578 IUPAC Name: 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane SMILES: CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4
| PubChem CID | 2286 |
|---|---|
| CAS | 1675-54-3 |
| Molecular Weight (g/mol) | 340.419 |
| ChEBI | CHEBI:34578 |
| MDL Number | MFCD00080480 |
| SMILES | CC(C)(C1=CC=C(C=C1)OCC2CO2)C3=CC=C(C=C3)OCC4CO4 |
| Synonym | bisphenol a diglycidyl ether,2,2-bis 4-glycidyloxyphenyl propane,epoxide a,epophen el 5,badge,dian diglycidyl ether,diglycidyl bisphenol a,epi-rez 510,bpdge,dgeba |
| IUPAC Name | 2-[[4-[2-[4-(oxiran-2-ylmethoxy)phenyl]propan-2-yl]phenoxy]methyl]oxirane |
| InChI Key | LCFVJGUPQDGYKZ-UHFFFAOYSA-N |
| Molecular Formula | C21H24O4 |
1-Bromo-3,4-difluorobenzene 98.0+%, TCI America™
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CAS: 348-61-8 Molecular Formula: C6H3BrF2 Molecular Weight (g/mol): 192.99 MDL Number: MFCD00000304 InChI Key: YMQPKONILWWJQG-UHFFFAOYSA-N Synonym: 1-bromo-3,4-difluorobenzene,3,4-difluorobromobenzene,benzene, 4-bromo-1,2-difluoro,3,4-difluorobromebenzene,4-bromo-1,2-difluoro-benzene,3,4-difluoro-1-bromobenzene,paragos 390209,fr bf de,pubchem2303,3,4-difluorophenylbromide PubChem CID: 67675 IUPAC Name: 4-bromo-1,2-difluorobenzene SMILES: FC1=CC=C(Br)C=C1F
| PubChem CID | 67675 |
|---|---|
| CAS | 348-61-8 |
| Molecular Weight (g/mol) | 192.99 |
| MDL Number | MFCD00000304 |
| SMILES | FC1=CC=C(Br)C=C1F |
| Synonym | 1-bromo-3,4-difluorobenzene,3,4-difluorobromobenzene,benzene, 4-bromo-1,2-difluoro,3,4-difluorobromebenzene,4-bromo-1,2-difluoro-benzene,3,4-difluoro-1-bromobenzene,paragos 390209,fr bf de,pubchem2303,3,4-difluorophenylbromide |
| IUPAC Name | 4-bromo-1,2-difluorobenzene |
| InChI Key | YMQPKONILWWJQG-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF2 |
4-Amino-4'-nitrodiphenyl Ether 98.0+%, TCI America™
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CAS: 6149-33-3 Molecular Formula: C12H10N2O3 Molecular Weight (g/mol): 230.223 InChI Key: ASAOLTVUTGZJST-UHFFFAOYSA-N PubChem CID: 80251 IUPAC Name: 4-(4-nitrophenoxy)aniline SMILES: C1=CC(=CC=C1N)OC2=CC=C(C=C2)[N+](=O)[O-]
| PubChem CID | 80251 |
|---|---|
| CAS | 6149-33-3 |
| Molecular Weight (g/mol) | 230.223 |
| SMILES | C1=CC(=CC=C1N)OC2=CC=C(C=C2)[N+](=O)[O-] |
| IUPAC Name | 4-(4-nitrophenoxy)aniline |
| InChI Key | ASAOLTVUTGZJST-UHFFFAOYSA-N |
| Molecular Formula | C12H10N2O3 |
3-Nitrotoluene 99.0+%, TCI America™
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CAS: 99-08-1 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007265 InChI Key: QZYHIOPPLUPUJF-UHFFFAOYSA-N Synonym: 3-nitrotoluene,m-nitrotoluene,3-nitrotoluol,benzene, 1-methyl-3-nitro,m-methylnitrobenzene,toluene, m-nitro,meta-nitrotoluol,3-methylnitrobenzene,m-nitrotoluol,nitrotoluene, m PubChem CID: 7422 ChEBI: CHEBI:39931 IUPAC Name: 1-methyl-3-nitrobenzene SMILES: CC1=CC=CC(=C1)[N+]([O-])=O
| PubChem CID | 7422 |
|---|---|
| CAS | 99-08-1 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:39931 |
| MDL Number | MFCD00007265 |
| SMILES | CC1=CC=CC(=C1)[N+]([O-])=O |
| Synonym | 3-nitrotoluene,m-nitrotoluene,3-nitrotoluol,benzene, 1-methyl-3-nitro,m-methylnitrobenzene,toluene, m-nitro,meta-nitrotoluol,3-methylnitrobenzene,m-nitrotoluol,nitrotoluene, m |
| IUPAC Name | 1-methyl-3-nitrobenzene |
| InChI Key | QZYHIOPPLUPUJF-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
2'-Aminoacetanilide 98.0+%, TCI America™
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CAS: 34801-09-7 Molecular Formula: C8H10N2O Molecular Weight (g/mol): 150.18 MDL Number: MFCD00210388 InChI Key: MPXAYYWSDIKNTP-UHFFFAOYSA-N Synonym: n-2-aminophenyl acetamide,2'-aminoacetanilide,o-aminoacetanilide,acetamide, n-2-aminophenyl,unii-lb34xrq95v,lb34xrq95v,acetamide, n-2-aminophenyl-9ci,n-acetyl-2-aminoaniline,n-acetyl-o-phenylenediamine,2-aminoactanilide PubChem CID: 11149 IUPAC Name: N-(2-aminophenyl)acetamide SMILES: CC(=O)NC1=CC=CC=C1N
| PubChem CID | 11149 |
|---|---|
| CAS | 34801-09-7 |
| Molecular Weight (g/mol) | 150.18 |
| MDL Number | MFCD00210388 |
| SMILES | CC(=O)NC1=CC=CC=C1N |
| Synonym | n-2-aminophenyl acetamide,2'-aminoacetanilide,o-aminoacetanilide,acetamide, n-2-aminophenyl,unii-lb34xrq95v,lb34xrq95v,acetamide, n-2-aminophenyl-9ci,n-acetyl-2-aminoaniline,n-acetyl-o-phenylenediamine,2-aminoactanilide |
| IUPAC Name | N-(2-aminophenyl)acetamide |
| InChI Key | MPXAYYWSDIKNTP-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2O |
3-Bromo-4-iodotoluene 98.0+%, TCI America™
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CAS: 71838-16-9 Molecular Formula: C7H6BrI Molecular Weight (g/mol): 296.93 MDL Number: MFCD00079718 InChI Key: PLAKKSAFIZVHJP-UHFFFAOYSA-N PubChem CID: 626634 IUPAC Name: 2-bromo-1-iodo-4-methylbenzene SMILES: CC1=CC(Br)=C(I)C=C1
| PubChem CID | 626634 |
|---|---|
| CAS | 71838-16-9 |
| Molecular Weight (g/mol) | 296.93 |
| MDL Number | MFCD00079718 |
| SMILES | CC1=CC(Br)=C(I)C=C1 |
| IUPAC Name | 2-bromo-1-iodo-4-methylbenzene |
| InChI Key | PLAKKSAFIZVHJP-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrI |
2-Bromo-5-methylbenzonitrile 97.0+%, TCI America™
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CAS: 42872-83-3 Molecular Formula: C8H6BrN Molecular Weight (g/mol): 196.05 MDL Number: MFCD11040281 InChI Key: AKCXJAVATJLYQM-UHFFFAOYSA-N Synonym: 6-bromo-m-tolunitrile,4-bromo-3-cyanotoluene,benzonitrile,2-bromo-5-methyl,benzonitrile, 2-bromo-5-methyl,pubchem14563,acmc-1aktv,ksc494a0n,2-bromo-5-methyl-benzonitrile,2-bromo-5-methyl benzonitrile,2-bromo-5-methylbenzonitrile PubChem CID: 12557201 IUPAC Name: 2-bromo-5-methylbenzonitrile SMILES: CC1=CC(C#N)=C(Br)C=C1
| PubChem CID | 12557201 |
|---|---|
| CAS | 42872-83-3 |
| Molecular Weight (g/mol) | 196.05 |
| MDL Number | MFCD11040281 |
| SMILES | CC1=CC(C#N)=C(Br)C=C1 |
| Synonym | 6-bromo-m-tolunitrile,4-bromo-3-cyanotoluene,benzonitrile,2-bromo-5-methyl,benzonitrile, 2-bromo-5-methyl,pubchem14563,acmc-1aktv,ksc494a0n,2-bromo-5-methyl-benzonitrile,2-bromo-5-methyl benzonitrile,2-bromo-5-methylbenzonitrile |
| IUPAC Name | 2-bromo-5-methylbenzonitrile |
| InChI Key | AKCXJAVATJLYQM-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrN |