Benzenoids
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3,4,5-Trimethoxybenzyl Alcohol 98.0+%, TCI America™
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CAS: 3840-31-1 Molecular Formula: C10H14O4 Molecular Weight (g/mol): 198.218 MDL Number: MFCD00004639 InChI Key: QPHLRCUCFDXGLY-UHFFFAOYSA-N Synonym: 3,4,5-trimethoxybenzyl alcohol,3,4,5-trimethoxyphenyl methanol,benzenemethanol, 3,4,5-trimethoxy,3,4,5-trimethoxybenzylalcohol,3,4,5-trimethoxybenzylic alcohol,benzyl alcohol, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methan-1-ol,acmc-1cp7y,3,4,5-trimethoxybenzalcohol,ksc494s0n PubChem CID: 77449 IUPAC Name: (3,4,5-trimethoxyphenyl)methanol SMILES: COC1=CC(=CC(=C1OC)OC)CO
| PubChem CID | 77449 |
|---|---|
| CAS | 3840-31-1 |
| Molecular Weight (g/mol) | 198.218 |
| MDL Number | MFCD00004639 |
| SMILES | COC1=CC(=CC(=C1OC)OC)CO |
| Synonym | 3,4,5-trimethoxybenzyl alcohol,3,4,5-trimethoxyphenyl methanol,benzenemethanol, 3,4,5-trimethoxy,3,4,5-trimethoxybenzylalcohol,3,4,5-trimethoxybenzylic alcohol,benzyl alcohol, 3,4,5-trimethoxy,3,4,5-trimethoxyphenyl methan-1-ol,acmc-1cp7y,3,4,5-trimethoxybenzalcohol,ksc494s0n |
| IUPAC Name | (3,4,5-trimethoxyphenyl)methanol |
| InChI Key | QPHLRCUCFDXGLY-UHFFFAOYSA-N |
| Molecular Formula | C10H14O4 |
4-Isopropyl-3-methylphenol 99.0+%, TCI America™
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CAS: 3228-02-2 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.22 MDL Number: MFCD00010704 InChI Key: IJALWSVNUBBQRA-UHFFFAOYSA-N Synonym: Biosol, 4-Isopropyl-m-cresol PubChem CID: 18597 ChEBI: CHEBI:34429 IUPAC Name: 3-methyl-4-propan-2-ylphenol SMILES: CC1=C(C=CC(=C1)O)C(C)C
| PubChem CID | 18597 |
|---|---|
| CAS | 3228-02-2 |
| Molecular Weight (g/mol) | 150.22 |
| ChEBI | CHEBI:34429 |
| MDL Number | MFCD00010704 |
| SMILES | CC1=C(C=CC(=C1)O)C(C)C |
| Synonym | Biosol, 4-Isopropyl-m-cresol |
| IUPAC Name | 3-methyl-4-propan-2-ylphenol |
| InChI Key | IJALWSVNUBBQRA-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
4-(Trifluoromethoxy)phenol 95.0+%, TCI America™
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CAS: 828-27-3 Molecular Formula: C7H5F3O2 Molecular Weight (g/mol): 178.11 MDL Number: MFCD00040988 InChI Key: WDRJNKMAZMEYOF-UHFFFAOYSA-N Synonym: 4-trifluoromethoxy phenol,p-trifluoromethoxy phenol,phenol, 4-trifluoromethoxy,4-hydroxytrifluoromethoxybenzene,4-trifluoromethoxy-phenol,4-hydroxyphenyl trifluoromethyl ether,p-trifluoromethoxyphenol PubChem CID: 70015 IUPAC Name: 4-(trifluoromethoxy)phenol SMILES: OC1=CC=C(OC(F)(F)F)C=C1
| PubChem CID | 70015 |
|---|---|
| CAS | 828-27-3 |
| Molecular Weight (g/mol) | 178.11 |
| MDL Number | MFCD00040988 |
| SMILES | OC1=CC=C(OC(F)(F)F)C=C1 |
| Synonym | 4-trifluoromethoxy phenol,p-trifluoromethoxy phenol,phenol, 4-trifluoromethoxy,4-hydroxytrifluoromethoxybenzene,4-trifluoromethoxy-phenol,4-hydroxyphenyl trifluoromethyl ether,p-trifluoromethoxyphenol |
| IUPAC Name | 4-(trifluoromethoxy)phenol |
| InChI Key | WDRJNKMAZMEYOF-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3O2 |
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 |
4,4'-Oxybis(benzoyl Chloride) 98.0+%, TCI America™
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CAS: 7158-32-9 Molecular Formula: C14H8Cl2O3 Molecular Weight (g/mol): 295.115 MDL Number: MFCD00496619 InChI Key: OSUWBBMPVXVSOA-UHFFFAOYSA-N Synonym: 4,4′C-Oxydibenzoyl Chloride, 4,4′C-Bis(chlorocarbonyl)diphenyl Ether, Bis(4-chlorocarbonylphenyl) Ether PubChem CID: 23546 IUPAC Name: 4-(4-carbonochloridoylphenoxy)benzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)OC2=CC=C(C=C2)C(=O)Cl
| PubChem CID | 23546 |
|---|---|
| CAS | 7158-32-9 |
| Molecular Weight (g/mol) | 295.115 |
| MDL Number | MFCD00496619 |
| SMILES | C1=CC(=CC=C1C(=O)Cl)OC2=CC=C(C=C2)C(=O)Cl |
| Synonym | 4,4′C-Oxydibenzoyl Chloride, 4,4′C-Bis(chlorocarbonyl)diphenyl Ether, Bis(4-chlorocarbonylphenyl) Ether |
| IUPAC Name | 4-(4-carbonochloridoylphenoxy)benzoyl chloride |
| InChI Key | OSUWBBMPVXVSOA-UHFFFAOYSA-N |
| Molecular Formula | C14H8Cl2O3 |
2-Bromophenylacetone 98.0+%, TCI America™
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CAS: 21906-31-0 Molecular Formula: C9H9BrO Molecular Weight (g/mol): 213.074 InChI Key: TZIAZLUAMDLDJF-UHFFFAOYSA-N Synonym: 2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388 PubChem CID: 2734092 IUPAC Name: 1-(2-bromophenyl)propan-2-one SMILES: CC(=O)CC1=CC=CC=C1Br
| PubChem CID | 2734092 |
|---|---|
| CAS | 21906-31-0 |
| Molecular Weight (g/mol) | 213.074 |
| SMILES | CC(=O)CC1=CC=CC=C1Br |
| Synonym | 2-bromophenylacetone,1-2-bromophenyl propan-2-one,2-bromophenyl acetone,1-2-bromophenyl-2-propanone,1-acetonyl-2-bromobenzene,2-propanone, 1-2-bromophenyl,o-bromo benyl methyl ketone,1-2-bromophenyl acetone,o-bromo benzyl methyl ketone,pubchem23388 |
| IUPAC Name | 1-(2-bromophenyl)propan-2-one |
| InChI Key | TZIAZLUAMDLDJF-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO |
3-Chloro-4-fluorobenzotrifluoride 98.0+%, TCI America™
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CAS: 78068-85-6 Molecular Formula: C7H3ClF4 Molecular Weight (g/mol): 198.54 MDL Number: MFCD00042207 InChI Key: BKHVEYHSOXVAOP-UHFFFAOYSA-N Synonym: 3-chloro-4-fluorobenzotrifluoride,2-chloro-1-fluoro-4-trifluoromethyl benzene,benzene, 2-chloro-1-fluoro-4-trifluoromethyl,3-cholor-4-fluorobenzo-trifluoride,3-chloro-4-fluoro benzotrifluoride,1-chloro-2-fluoro-5-trifluoromethyl benzene,3-chloro-4-fluoro-1-trifluoromethyl benzene,benzene, chloro-1-fluoro-4-trifluoromethyl,3-chloro-alpha,alpha,alpha,4-tetrafluorotoluene,3-chloro-4-fluoro-alpha,alpha,alpha-trifluorotoluene PubChem CID: 157153 IUPAC Name: 2-chloro-1-fluoro-4-(trifluoromethyl)benzene SMILES: FC1=CC=C(C=C1Cl)C(F)(F)F
| PubChem CID | 157153 |
|---|---|
| CAS | 78068-85-6 |
| Molecular Weight (g/mol) | 198.54 |
| MDL Number | MFCD00042207 |
| SMILES | FC1=CC=C(C=C1Cl)C(F)(F)F |
| Synonym | 3-chloro-4-fluorobenzotrifluoride,2-chloro-1-fluoro-4-trifluoromethyl benzene,benzene, 2-chloro-1-fluoro-4-trifluoromethyl,3-cholor-4-fluorobenzo-trifluoride,3-chloro-4-fluoro benzotrifluoride,1-chloro-2-fluoro-5-trifluoromethyl benzene,3-chloro-4-fluoro-1-trifluoromethyl benzene,benzene, chloro-1-fluoro-4-trifluoromethyl,3-chloro-alpha,alpha,alpha,4-tetrafluorotoluene,3-chloro-4-fluoro-alpha,alpha,alpha-trifluorotoluene |
| IUPAC Name | 2-chloro-1-fluoro-4-(trifluoromethyl)benzene |
| InChI Key | BKHVEYHSOXVAOP-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClF4 |
2,8-Dimethylanthra[2,3-b:7,6-b']dithiophene (purified by sublimation), TCI America™
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CAS: 1392416-39-5 Molecular Formula: C20H14S2 Molecular Weight (g/mol): 318.452 InChI Key: JSJKBPBSELKJQI-UHFFFAOYSA-N Synonym: syn-DMADT PubChem CID: 102290570 SMILES: CC1=CC2=CC3=CC4=CC5=C(C=C4C=C3C=C2S1)SC(=C5)C
| PubChem CID | 102290570 |
|---|---|
| CAS | 1392416-39-5 |
| Molecular Weight (g/mol) | 318.452 |
| SMILES | CC1=CC2=CC3=CC4=CC5=C(C=C4C=C3C=C2S1)SC(=C5)C |
| Synonym | syn-DMADT |
| InChI Key | JSJKBPBSELKJQI-UHFFFAOYSA-N |
| Molecular Formula | C20H14S2 |
5-Chloro-2-methoxyaniline 98.0+%, TCI America™
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CAS: 95-03-4 Molecular Formula: C7H8ClNO Molecular Weight (g/mol): 157.597 MDL Number: MFCD00007777 InChI Key: WBSMIPLNPSCJFS-UHFFFAOYSA-N Synonym: 2-amino-4-chloroanisole,5-chloro-o-anisidine,benzenamine, 5-chloro-2-methoxy,2-methoxy-5-chloroaniline,tulabase fast red r,tulabase fast red rc,4-chloro-2-aminoanisole,o-anisidine, 5-chloro,5-chloro-2-methoxyphenylamine,p-chloro-o-aminoanisole PubChem CID: 66763 IUPAC Name: 5-chloro-2-methoxyaniline SMILES: COC1=C(C=C(C=C1)Cl)N
| PubChem CID | 66763 |
|---|---|
| CAS | 95-03-4 |
| Molecular Weight (g/mol) | 157.597 |
| MDL Number | MFCD00007777 |
| SMILES | COC1=C(C=C(C=C1)Cl)N |
| Synonym | 2-amino-4-chloroanisole,5-chloro-o-anisidine,benzenamine, 5-chloro-2-methoxy,2-methoxy-5-chloroaniline,tulabase fast red r,tulabase fast red rc,4-chloro-2-aminoanisole,o-anisidine, 5-chloro,5-chloro-2-methoxyphenylamine,p-chloro-o-aminoanisole |
| IUPAC Name | 5-chloro-2-methoxyaniline |
| InChI Key | WBSMIPLNPSCJFS-UHFFFAOYSA-N |
| Molecular Formula | C7H8ClNO |
2-(4-Biphenylyl)amino-9,9-dimethylfluorene 98.0+%, TCI America™
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CAS: 897671-69-1 Molecular Formula: C27H23N Molecular Weight (g/mol): 361.49 MDL Number: MFCD16036286 InChI Key: QRMLAMCEPKEKHS-UHFFFAOYSA-N PubChem CID: 20730584 IUPAC Name: N-{[1,1'-biphenyl]-4-yl}-9,9-dimethyl-9H-fluoren-2-amine SMILES: CC1(C)C2=CC=CC=C2C2=C1C=C(NC1=CC=C(C=C1)C1=CC=CC=C1)C=C2
| PubChem CID | 20730584 |
|---|---|
| CAS | 897671-69-1 |
| Molecular Weight (g/mol) | 361.49 |
| MDL Number | MFCD16036286 |
| SMILES | CC1(C)C2=CC=CC=C2C2=C1C=C(NC1=CC=C(C=C1)C1=CC=CC=C1)C=C2 |
| IUPAC Name | N-{[1,1'-biphenyl]-4-yl}-9,9-dimethyl-9H-fluoren-2-amine |
| InChI Key | QRMLAMCEPKEKHS-UHFFFAOYSA-N |
| Molecular Formula | C27H23N |
3-(Methylthio)benzoic Acid 98.0+%, TCI America™
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CAS: 825-99-0 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00156993 InChI Key: PZGADOOBMVLBJE-UHFFFAOYSA-N Synonym: 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679 PubChem CID: 220329 IUPAC Name: 3-methylsulfanylbenzoic acid SMILES: CSC1=CC=CC(=C1)C(=O)O
| PubChem CID | 220329 |
|---|---|
| CAS | 825-99-0 |
| Molecular Weight (g/mol) | 168.21 |
| MDL Number | MFCD00156993 |
| SMILES | CSC1=CC=CC(=C1)C(=O)O |
| Synonym | 3-methylthio benzoic acid,3-methylsulfanyl benzoic acid,benzoic acid, 3-methylthio,benzoic acid, m-methylthio,3-mercaptobenzoic acid s-methyl ether,3-methylsulfanyl-benzoic acid,3-carboxythioanisole,pubchem10679 |
| IUPAC Name | 3-methylsulfanylbenzoic acid |
| InChI Key | PZGADOOBMVLBJE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2S |
Tetrabutylammonium p-Toluenesulfonate 98.0+%, TCI America™
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CAS: 7182-86-7 Molecular Formula: C23H43NO3S Molecular Weight (g/mol): 413.661 MDL Number: MFCD00043227 InChI Key: REAVCZWUMGIGSW-UHFFFAOYSA-M PubChem CID: 10971700 IUPAC Name: 4-methylbenzenesulfonate;tetrabutylazanium SMILES: CCCC[N+](CCCC)(CCCC)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-]
| PubChem CID | 10971700 |
|---|---|
| CAS | 7182-86-7 |
| Molecular Weight (g/mol) | 413.661 |
| MDL Number | MFCD00043227 |
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.CC1=CC=C(C=C1)S(=O)(=O)[O-] |
| IUPAC Name | 4-methylbenzenesulfonate;tetrabutylazanium |
| InChI Key | REAVCZWUMGIGSW-UHFFFAOYSA-M |
| Molecular Formula | C23H43NO3S |
2,4,6-Tris(2,4,6-tribromophenoxy)-1,3,5-triazine 98.0+%, TCI America™
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CAS: 25713-60-4 Molecular Formula: C21H6Br9N3O3 Molecular Weight (g/mol): 1067.433 MDL Number: MFCD03092948 InChI Key: BDFBPPCACYFGFA-UHFFFAOYSA-N Synonym: Cyanuric Acid Tris(2,4,6-tribromophenyl) Ester, Tris(2,4,6-tribromophenyl) Cyanurate PubChem CID: 91820 IUPAC Name: 2,4,6-tris(2,4,6-tribromophenoxy)-1,3,5-triazine SMILES: C1=C(C=C(C(=C1Br)OC2=NC(=NC(=N2)OC3=C(C=C(C=C3Br)Br)Br)OC4=C(C=C(C=C4Br)Br)Br)Br)Br
| PubChem CID | 91820 |
|---|---|
| CAS | 25713-60-4 |
| Molecular Weight (g/mol) | 1067.433 |
| MDL Number | MFCD03092948 |
| SMILES | C1=C(C=C(C(=C1Br)OC2=NC(=NC(=N2)OC3=C(C=C(C=C3Br)Br)Br)OC4=C(C=C(C=C4Br)Br)Br)Br)Br |
| Synonym | Cyanuric Acid Tris(2,4,6-tribromophenyl) Ester, Tris(2,4,6-tribromophenyl) Cyanurate |
| IUPAC Name | 2,4,6-tris(2,4,6-tribromophenoxy)-1,3,5-triazine |
| InChI Key | BDFBPPCACYFGFA-UHFFFAOYSA-N |
| Molecular Formula | C21H6Br9N3O3 |
9-Anthrylmethyl Methacrylate 98.0+%, TCI America™
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CAS: 31645-35-9 Molecular Formula: C19H16O2 Molecular Weight (g/mol): 276.335 MDL Number: MFCD00673247 InChI Key: MJYSISMEPNOHEG-UHFFFAOYSA-N Synonym: Methacrylic Acid 9-Anthrylmethyl Ester PubChem CID: 3618754 IUPAC Name: anthracen-9-ylmethyl 2-methylprop-2-enoate SMILES: CC(=C)C(=O)OCC1=C2C=CC=CC2=CC3=CC=CC=C31
| PubChem CID | 3618754 |
|---|---|
| CAS | 31645-35-9 |
| Molecular Weight (g/mol) | 276.335 |
| MDL Number | MFCD00673247 |
| SMILES | CC(=C)C(=O)OCC1=C2C=CC=CC2=CC3=CC=CC=C31 |
| Synonym | Methacrylic Acid 9-Anthrylmethyl Ester |
| IUPAC Name | anthracen-9-ylmethyl 2-methylprop-2-enoate |
| InChI Key | MJYSISMEPNOHEG-UHFFFAOYSA-N |
| Molecular Formula | C19H16O2 |
5-Methyl-2-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 3113-72-2 Molecular Formula: C8H7NO4 Molecular Weight (g/mol): 181.147 MDL Number: MFCD00007368 InChI Key: QRRSIFNWHCKMSW-UHFFFAOYSA-N Synonym: 5-methyl-2-nitrobenzoic acid,2-nitro-5-methylbenzoic acid,benzoic acid, 5-methyl-2-nitro,3-methyl-6-nitrobenzoic acid,6-nitro-m-toluic acid,m-toluic acid, 6-nitro,6-nitro-p-toluic acid,5-methyl-2-nitrobenzoicacid,5-methyl-2-nitro-benzoic acid,benzoic acid,5-methyl-2-nitro PubChem CID: 18371 SMILES: CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O
| PubChem CID | 18371 |
|---|---|
| CAS | 3113-72-2 |
| Molecular Weight (g/mol) | 181.147 |
| MDL Number | MFCD00007368 |
| SMILES | CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)O |
| Synonym | 5-methyl-2-nitrobenzoic acid,2-nitro-5-methylbenzoic acid,benzoic acid, 5-methyl-2-nitro,3-methyl-6-nitrobenzoic acid,6-nitro-m-toluic acid,m-toluic acid, 6-nitro,6-nitro-p-toluic acid,5-methyl-2-nitrobenzoicacid,5-methyl-2-nitro-benzoic acid,benzoic acid,5-methyl-2-nitro |
| InChI Key | QRRSIFNWHCKMSW-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO4 |