Benzenoids
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1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane 97.0+%, TCI America™
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CAS: 18084-64-5 Molecular Formula: C36H44N4 Molecular Weight (g/mol): 532.776 InChI Key: VXOJKUWHCFFUCO-UHFFFAOYSA-N PubChem CID: 428363 IUPAC Name: 1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane SMILES: C1CN(CCN(CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5
| PubChem CID | 428363 |
|---|---|
| CAS | 18084-64-5 |
| Molecular Weight (g/mol) | 532.776 |
| SMILES | C1CN(CCN(CCN(CCN1CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=CC=C4)CC5=CC=CC=C5 |
| IUPAC Name | 1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane |
| InChI Key | VXOJKUWHCFFUCO-UHFFFAOYSA-N |
| Molecular Formula | C36H44N4 |
6-Fluorosalicylic Acid 98.0+%, TCI America™
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CAS: 67531-86-6 Molecular Formula: C7H5FO3 Molecular Weight (g/mol): 156.112 MDL Number: MFCD00052179 InChI Key: BCEKGWWLVKXZKK-UHFFFAOYSA-N Synonym: 6-fluorosalicylic acid,6-fluoro-2-hydroxybenzoic acid,2-fluoro-6-hydroxybenzoicacid,6-fluorosalicylicacid,benzoic acid, 2-fluoro-6-hydroxy,2-fluoro-6-hydoxybenzoic acid,pubchem4958,acmc-1baav,2-carboxy-3-fluorophenol PubChem CID: 586777 IUPAC Name: 2-fluoro-6-hydroxybenzoic acid SMILES: C1=CC(=C(C(=C1)F)C(=O)O)O
| PubChem CID | 586777 |
|---|---|
| CAS | 67531-86-6 |
| Molecular Weight (g/mol) | 156.112 |
| MDL Number | MFCD00052179 |
| SMILES | C1=CC(=C(C(=C1)F)C(=O)O)O |
| Synonym | 6-fluorosalicylic acid,6-fluoro-2-hydroxybenzoic acid,2-fluoro-6-hydroxybenzoicacid,6-fluorosalicylicacid,benzoic acid, 2-fluoro-6-hydroxy,2-fluoro-6-hydoxybenzoic acid,pubchem4958,acmc-1baav,2-carboxy-3-fluorophenol |
| IUPAC Name | 2-fluoro-6-hydroxybenzoic acid |
| InChI Key | BCEKGWWLVKXZKK-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO3 |
2,7-Dibromopyrene 97.0+%, TCI America™
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CAS: 102587-98-4 Molecular Formula: C16H8Br2 Molecular Weight (g/mol): 360.05 MDL Number: MFCD09909862 InChI Key: IGTQPXMEWQTTBJ-UHFFFAOYSA-N PubChem CID: 13615479 IUPAC Name: 2,7-dibromopyrene SMILES: BrC1=CC2=CC=C3C=C(Br)C=C4C=CC(=C1)C2=C34
| PubChem CID | 13615479 |
|---|---|
| CAS | 102587-98-4 |
| Molecular Weight (g/mol) | 360.05 |
| MDL Number | MFCD09909862 |
| SMILES | BrC1=CC2=CC=C3C=C(Br)C=C4C=CC(=C1)C2=C34 |
| IUPAC Name | 2,7-dibromopyrene |
| InChI Key | IGTQPXMEWQTTBJ-UHFFFAOYSA-N |
| Molecular Formula | C16H8Br2 |
2-Chloro-4-fluoro-5-nitrobenzoic Acid 98.0+%, TCI America™
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CAS: 114776-15-7 Molecular Formula: C7H3ClFNO4 Molecular Weight (g/mol): 219.552 MDL Number: MFCD04115715 InChI Key: SYZKAFCPWNFONG-UHFFFAOYSA-N Synonym: 2-chloro-4-fluoro-5-nitrobenzoic acid,2-chloro-4-fluoro-5-nitro-benzoic acid,benzoic acid, 2-chloro-4-fluoro-5-nitro,benzoic acid,2-chloro-4-fluoro-5-nitro,acmc-2099ln,5-carboxy-4-chloro-2-fluoronitrobenzene,2,2'-bithiophene-5,8'-diylbis trimethylstannane PubChem CID: 7210828 SMILES: C1=C(C(=CC(=C1[N+](=O)[O-])F)Cl)C(=O)O
| PubChem CID | 7210828 |
|---|---|
| CAS | 114776-15-7 |
| Molecular Weight (g/mol) | 219.552 |
| MDL Number | MFCD04115715 |
| SMILES | C1=C(C(=CC(=C1[N+](=O)[O-])F)Cl)C(=O)O |
| Synonym | 2-chloro-4-fluoro-5-nitrobenzoic acid,2-chloro-4-fluoro-5-nitro-benzoic acid,benzoic acid, 2-chloro-4-fluoro-5-nitro,benzoic acid,2-chloro-4-fluoro-5-nitro,acmc-2099ln,5-carboxy-4-chloro-2-fluoronitrobenzene,2,2'-bithiophene-5,8'-diylbis trimethylstannane |
| InChI Key | SYZKAFCPWNFONG-UHFFFAOYSA-N |
| Molecular Formula | C7H3ClFNO4 |
4-Methoxybenzophenone 98.0+%, TCI America™
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CAS: 611-94-9 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.248 MDL Number: MFCD00008403 InChI Key: SWFHGTMLYIBPPA-UHFFFAOYSA-N Synonym: 4-methoxybenzophenone,4-methoxyphenyl phenyl methanone,p-methoxybenzophenone,benzophenone, 4-methoxy,methanone, 4-methoxyphenyl phenyl,phenyl p-anisyl ketone,4-benzoylanisole,4-methoxyphenyl phenylmethanone,unii-i4xj07373m,4-methoxyphenyl-phenylmethanone PubChem CID: 69146 IUPAC Name: (4-methoxyphenyl)-phenylmethanone SMILES: COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
| PubChem CID | 69146 |
|---|---|
| CAS | 611-94-9 |
| Molecular Weight (g/mol) | 212.248 |
| MDL Number | MFCD00008403 |
| SMILES | COC1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| Synonym | 4-methoxybenzophenone,4-methoxyphenyl phenyl methanone,p-methoxybenzophenone,benzophenone, 4-methoxy,methanone, 4-methoxyphenyl phenyl,phenyl p-anisyl ketone,4-benzoylanisole,4-methoxyphenyl phenylmethanone,unii-i4xj07373m,4-methoxyphenyl-phenylmethanone |
| IUPAC Name | (4-methoxyphenyl)-phenylmethanone |
| InChI Key | SWFHGTMLYIBPPA-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
4-Bromo-2-fluorophenol 98.0+%, TCI America™
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CAS: 2105-94-4 Molecular Formula: C6H4BrFO Molecular Weight (g/mol): 191.00 MDL Number: MFCD00011722 InChI Key: RYVOZMPTISNBDB-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromophenol,4-bromo-2-fluoro-phenol,phenol, 4-bromo-2-fluoro,4-bromo-2-fluoro phenol,pubchem1488,p-bromo-o-fluorophenol,2-fluoro-4-bromo phenol,acmc-209fh4,ksc204a3n,3-fluoro-4-hydroxy-bromobenzene PubChem CID: 2724981 IUPAC Name: 4-bromo-2-fluorophenol SMILES: OC1=CC=C(Br)C=C1F
| PubChem CID | 2724981 |
|---|---|
| CAS | 2105-94-4 |
| Molecular Weight (g/mol) | 191.00 |
| MDL Number | MFCD00011722 |
| SMILES | OC1=CC=C(Br)C=C1F |
| Synonym | 2-fluoro-4-bromophenol,4-bromo-2-fluoro-phenol,phenol, 4-bromo-2-fluoro,4-bromo-2-fluoro phenol,pubchem1488,p-bromo-o-fluorophenol,2-fluoro-4-bromo phenol,acmc-209fh4,ksc204a3n,3-fluoro-4-hydroxy-bromobenzene |
| IUPAC Name | 4-bromo-2-fluorophenol |
| InChI Key | RYVOZMPTISNBDB-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrFO |
2',5'-Dimethoxyacetanilide 98.0+%, TCI America™
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CAS: 3467-59-2 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.22 MDL Number: MFCD00043826 InChI Key: HOZRMSVNIKYCMB-UHFFFAOYSA-N Synonym: 2-Acetamido-1,4-dimethoxybenzene PubChem CID: 77015 IUPAC Name: N-(2,5-dimethoxyphenyl)acetamide SMILES: COC1=CC=C(OC)C(NC(C)=O)=C1
| PubChem CID | 77015 |
|---|---|
| CAS | 3467-59-2 |
| Molecular Weight (g/mol) | 195.22 |
| MDL Number | MFCD00043826 |
| SMILES | COC1=CC=C(OC)C(NC(C)=O)=C1 |
| Synonym | 2-Acetamido-1,4-dimethoxybenzene |
| IUPAC Name | N-(2,5-dimethoxyphenyl)acetamide |
| InChI Key | HOZRMSVNIKYCMB-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO3 |
4-(Hydroxymethyl)phenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| PubChem CID | 2734706 |
|---|---|
| CAS | 59016-93-2 |
| Molecular Weight (g/mol) | 151.956 |
| MDL Number | MFCD00792672 |
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC=C(C=C1)CO)(O)O |
| Synonym | 4-hydroxymethyl phenylboronic acid,4-hydroxymethyl benzeneboronic acid,4-hydroxymethyl phenyl boronic acid,4-hydroxymethylphenyl boronic acid,4-hydroxymethylphenylboronic acid |
| TSCA | No |
| IUPAC Name | [4-(hydroxymethyl)phenyl]boronic acid |
| InChI Key | PZRPBPMLSSNFOM-UHFFFAOYSA-N |
| Molecular Formula | C7H9BO3 |
| Formula Weight | 151.96 |
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-Bromobenzaldehyde Diethyl Acetal 97.0+%, TCI America™
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CAS: 35822-58-3 Molecular Formula: C11H15BrO2 Molecular Weight (g/mol): 259.14 MDL Number: MFCD01075696 InChI Key: APDGYQVYBWGBSD-UHFFFAOYSA-N Synonym: 2-bromobenzaldehyde diethyl acetal,1-bromo-2-diethoxymethyl benzene,2-diethoxymethyl bromobenzene,2-bromobenzaldehydediethylacetal,benzene, 1-bromo-2-diethoxymethyl,2-bromophenyl diethoxymethane,2-bromo-alpha,alpha-diethoxytoluene,pubchem5370,acmc-1afuv,bromobenzaldehyde diethylacetal PubChem CID: 3482778 IUPAC Name: 1-bromo-2-(diethoxymethyl)benzene SMILES: CCOC(OCC)C1=CC=CC=C1Br
| PubChem CID | 3482778 |
|---|---|
| CAS | 35822-58-3 |
| Molecular Weight (g/mol) | 259.14 |
| MDL Number | MFCD01075696 |
| SMILES | CCOC(OCC)C1=CC=CC=C1Br |
| Synonym | 2-bromobenzaldehyde diethyl acetal,1-bromo-2-diethoxymethyl benzene,2-diethoxymethyl bromobenzene,2-bromobenzaldehydediethylacetal,benzene, 1-bromo-2-diethoxymethyl,2-bromophenyl diethoxymethane,2-bromo-alpha,alpha-diethoxytoluene,pubchem5370,acmc-1afuv,bromobenzaldehyde diethylacetal |
| IUPAC Name | 1-bromo-2-(diethoxymethyl)benzene |
| InChI Key | APDGYQVYBWGBSD-UHFFFAOYSA-N |
| Molecular Formula | C11H15BrO2 |
o-Toluenesulfonamide 98.0+%, TCI America™
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CAS: 88-19-7 Molecular Formula: C7H9NO2S Molecular Weight (g/mol): 171.214 MDL Number: MFCD00007934 InChI Key: YCMLQMDWSXFTIF-UHFFFAOYSA-N Synonym: o-toluenesulfonamide,2-methylbenzene-1-sulfonamide,benzenesulfonamide, 2-methyl,2-toluenesulfonamide,o-methylbenzenesulfonamide,toluene-2-sulfonamide,ketjenflex 9,toluene-2-sulphonamide,ortho-toluenesulfonamide,2-tolylsulfonamide PubChem CID: 6924 IUPAC Name: 2-methylbenzenesulfonamide SMILES: CC1=CC=CC=C1S(=O)(=O)N
| PubChem CID | 6924 |
|---|---|
| CAS | 88-19-7 |
| Molecular Weight (g/mol) | 171.214 |
| MDL Number | MFCD00007934 |
| SMILES | CC1=CC=CC=C1S(=O)(=O)N |
| Synonym | o-toluenesulfonamide,2-methylbenzene-1-sulfonamide,benzenesulfonamide, 2-methyl,2-toluenesulfonamide,o-methylbenzenesulfonamide,toluene-2-sulfonamide,ketjenflex 9,toluene-2-sulphonamide,ortho-toluenesulfonamide,2-tolylsulfonamide |
| IUPAC Name | 2-methylbenzenesulfonamide |
| InChI Key | YCMLQMDWSXFTIF-UHFFFAOYSA-N |
| Molecular Formula | C7H9NO2S |
4-Heptylbenzoic Acid 95.0+%, TCI America™
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CAS: 38350-87-7 Molecular Formula: C14H20O2 Molecular Weight (g/mol): 220.312 MDL Number: MFCD00009722 InChI Key: VSUKEWPHURLYTK-UHFFFAOYSA-N Synonym: benzoic acid, 4-heptyl,4-n-heptylbenzoic acid,4-heptylbenzoicacid,4-heptylbenzoate,p-heptylbenzoic acid,acmc-209izm,4-n-heptyl-benzoic acid,4-heptylbenzoic acid PubChem CID: 170036 IUPAC Name: 4-heptylbenzoic acid SMILES: CCCCCCCC1=CC=C(C=C1)C(=O)O
| PubChem CID | 170036 |
|---|---|
| CAS | 38350-87-7 |
| Molecular Weight (g/mol) | 220.312 |
| MDL Number | MFCD00009722 |
| SMILES | CCCCCCCC1=CC=C(C=C1)C(=O)O |
| Synonym | benzoic acid, 4-heptyl,4-n-heptylbenzoic acid,4-heptylbenzoicacid,4-heptylbenzoate,p-heptylbenzoic acid,acmc-209izm,4-n-heptyl-benzoic acid,4-heptylbenzoic acid |
| IUPAC Name | 4-heptylbenzoic acid |
| InChI Key | VSUKEWPHURLYTK-UHFFFAOYSA-N |
| Molecular Formula | C14H20O2 |
1-(Diphenylmethyl)-3-hydroxyazetidine 98.0+%, TCI America™
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CAS: 18621-17-5 Molecular Formula: C16H17NO Molecular Weight (g/mol): 239.32 MDL Number: MFCD00205109 InChI Key: MMAJXKGUZYDTHV-UHFFFAOYSA-N Synonym: 1-benzhydrylazetan-3-ol,1-diphenylmethyl-3-hydroxyazetidine,1-diphenylmethyl azetidin-3-ol,1-benzhydryl-3-azetidinol,1-benzhydryl-3-hydroxyazetidine,1-benzhydryl-azetidin-3-ol,n-benzhydrylazetidin-3-ol,3-azetidinol, 1-diphenylmethyl,1-diphenylmethyl-3-azetidinol PubChem CID: 330448 IUPAC Name: 1-(diphenylmethyl)azetidin-3-ol SMILES: OC1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 330448 |
|---|---|
| CAS | 18621-17-5 |
| Molecular Weight (g/mol) | 239.32 |
| MDL Number | MFCD00205109 |
| SMILES | OC1CN(C1)C(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | 1-benzhydrylazetan-3-ol,1-diphenylmethyl-3-hydroxyazetidine,1-diphenylmethyl azetidin-3-ol,1-benzhydryl-3-azetidinol,1-benzhydryl-3-hydroxyazetidine,1-benzhydryl-azetidin-3-ol,n-benzhydrylazetidin-3-ol,3-azetidinol, 1-diphenylmethyl,1-diphenylmethyl-3-azetidinol |
| IUPAC Name | 1-(diphenylmethyl)azetidin-3-ol |
| InChI Key | MMAJXKGUZYDTHV-UHFFFAOYSA-N |
| Molecular Formula | C16H17NO |
2-Aminoanthracene 98.0+%, TCI America™
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CAS: 613-13-8 Molecular Formula: C14H11N Molecular Weight (g/mol): 193.249 MDL Number: MFCD00003582 InChI Key: YCSBALJAGZKWFF-UHFFFAOYSA-N Synonym: 2-aminoanthracene,2-anthramine,2-anthracenamine,2-anthrylamine,2-anthracylamine,beta-aminoanthracene,2-anthracenamide,ccris 22,.beta.-aminoanthracene,dsstox_cid_4458 PubChem CID: 11937 ChEBI: CHEBI:34260 IUPAC Name: anthracen-2-amine SMILES: C1=CC=C2C=C3C=C(C=CC3=CC2=C1)N
| PubChem CID | 11937 |
|---|---|
| CAS | 613-13-8 |
| Molecular Weight (g/mol) | 193.249 |
| ChEBI | CHEBI:34260 |
| MDL Number | MFCD00003582 |
| SMILES | C1=CC=C2C=C3C=C(C=CC3=CC2=C1)N |
| Synonym | 2-aminoanthracene,2-anthramine,2-anthracenamine,2-anthrylamine,2-anthracylamine,beta-aminoanthracene,2-anthracenamide,ccris 22,.beta.-aminoanthracene,dsstox_cid_4458 |
| IUPAC Name | anthracen-2-amine |
| InChI Key | YCSBALJAGZKWFF-UHFFFAOYSA-N |
| Molecular Formula | C14H11N |
Disodium 2,7-Naphthalenedisulfonate 98.0+%, TCI America™
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CAS: 1655-35-2 Molecular Formula: C10H6Na2O6S2 Molecular Weight (g/mol): 332.252 MDL Number: MFCD00066365 InChI Key: XOIWXJSPLXGSLZ-UHFFFAOYSA-L Synonym: 2,7-Naphthalenedisulfonic Acid Disodium Salt, Ebert-Merz alpha-Acid Disodium Salt PubChem CID: 74249 IUPAC Name: disodium;naphthalene-2,7-disulfonate SMILES: C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
| PubChem CID | 74249 |
|---|---|
| CAS | 1655-35-2 |
| Molecular Weight (g/mol) | 332.252 |
| MDL Number | MFCD00066365 |
| SMILES | C1=CC(=CC2=C1C=CC(=C2)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+] |
| Synonym | 2,7-Naphthalenedisulfonic Acid Disodium Salt, Ebert-Merz alpha-Acid Disodium Salt |
| IUPAC Name | disodium;naphthalene-2,7-disulfonate |
| InChI Key | XOIWXJSPLXGSLZ-UHFFFAOYSA-L |
| Molecular Formula | C10H6Na2O6S2 |