Benzenoids
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5-Bromo-2-fluorophenol 98.0+%, TCI America™
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CAS: 112204-58-7 Molecular Formula: C6H4BrFO Molecular Weight (g/mol): 190.999 MDL Number: MFCD07782066 InChI Key: YPTHSYKJDRMAJY-UHFFFAOYSA-N Synonym: 2-fluoro-5-bromophenol,phenol, 5-bromo-2-fluoro,2-fluoro-5-bromo phenol,5-bromo-2-fluoro-phenol,3-bromo-6-fluorophenol,3-bromo-6-fluoro-phenol,acmc-2099dd,ksc493i2d PubChem CID: 183421 IUPAC Name: 5-bromo-2-fluorophenol SMILES: C1=CC(=C(C=C1Br)O)F
| PubChem CID | 183421 |
|---|---|
| CAS | 112204-58-7 |
| Molecular Weight (g/mol) | 190.999 |
| MDL Number | MFCD07782066 |
| SMILES | C1=CC(=C(C=C1Br)O)F |
| Synonym | 2-fluoro-5-bromophenol,phenol, 5-bromo-2-fluoro,2-fluoro-5-bromo phenol,5-bromo-2-fluoro-phenol,3-bromo-6-fluorophenol,3-bromo-6-fluoro-phenol,acmc-2099dd,ksc493i2d |
| IUPAC Name | 5-bromo-2-fluorophenol |
| InChI Key | YPTHSYKJDRMAJY-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrFO |
5-Bromo-2-chloroanisole 98.0+%, TCI America™
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CAS: 16817-43-9 Molecular Formula: C7H6BrClO Molecular Weight (g/mol): 221.48 MDL Number: MFCD00078659 InChI Key: UAMVKOTWSHJOSY-UHFFFAOYSA-N Synonym: 5-bromo-2-chloroanisole,5-bromo-2-chloroanisol,4-chloro-3-methoxybromobenzene,2-chloro-5-bromoanisole,5-bromo-2-chloro-anisole,benzene, 4-bromo-1-chloro-2-methoxy,4-bromo-1-chloro-2-methoxy-benzene,zlchem 582,pubchem2632,acmc-209dxq PubChem CID: 2769567 IUPAC Name: 4-bromo-1-chloro-2-methoxybenzene SMILES: COC1=C(Cl)C=CC(Br)=C1
| PubChem CID | 2769567 |
|---|---|
| CAS | 16817-43-9 |
| Molecular Weight (g/mol) | 221.48 |
| MDL Number | MFCD00078659 |
| SMILES | COC1=C(Cl)C=CC(Br)=C1 |
| Synonym | 5-bromo-2-chloroanisole,5-bromo-2-chloroanisol,4-chloro-3-methoxybromobenzene,2-chloro-5-bromoanisole,5-bromo-2-chloro-anisole,benzene, 4-bromo-1-chloro-2-methoxy,4-bromo-1-chloro-2-methoxy-benzene,zlchem 582,pubchem2632,acmc-209dxq |
| IUPAC Name | 4-bromo-1-chloro-2-methoxybenzene |
| InChI Key | UAMVKOTWSHJOSY-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrClO |
6-Hydroxy-2-naphthonitrile 98.0+%, TCI America™
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CAS: 52927-22-7 Molecular Formula: C11H7NO Molecular Weight (g/mol): 169.18 MDL Number: MFCD01863480 InChI Key: WKTNIBWKHNIPQR-UHFFFAOYSA-N Synonym: 6-Cyano-2-naphthol PubChem CID: 4589476 IUPAC Name: 6-hydroxynaphthalene-2-carbonitrile SMILES: OC1=CC2=CC=C(C=C2C=C1)C#N
| PubChem CID | 4589476 |
|---|---|
| CAS | 52927-22-7 |
| Molecular Weight (g/mol) | 169.18 |
| MDL Number | MFCD01863480 |
| SMILES | OC1=CC2=CC=C(C=C2C=C1)C#N |
| Synonym | 6-Cyano-2-naphthol |
| IUPAC Name | 6-hydroxynaphthalene-2-carbonitrile |
| InChI Key | WKTNIBWKHNIPQR-UHFFFAOYSA-N |
| Molecular Formula | C11H7NO |
3-Nitrophenoxyacetic Acid 98.0+%, TCI America™
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CAS: 1878-88-2 Molecular Formula: C8H7NO5 Molecular Weight (g/mol): 197.146 MDL Number: MFCD00059826 InChI Key: BNRRQAASFDGMMQ-UHFFFAOYSA-N Synonym: 3-nitrophenoxyacetic acid,3-nitrophenoxy acetic acid,2-3-nitrophenoxy acetic acid,m-nitrophenoxyacetic acid,3-nitrophenoxy-acetic acid,acmc-209eqk,3-nitrophenoxyaceticacid,3-nitro-phenoxy-acetic acid PubChem CID: 74656 SMILES: C1=CC(=CC(=C1)OCC(=O)O)[N+](=O)[O-]
| PubChem CID | 74656 |
|---|---|
| CAS | 1878-88-2 |
| Molecular Weight (g/mol) | 197.146 |
| MDL Number | MFCD00059826 |
| SMILES | C1=CC(=CC(=C1)OCC(=O)O)[N+](=O)[O-] |
| Synonym | 3-nitrophenoxyacetic acid,3-nitrophenoxy acetic acid,2-3-nitrophenoxy acetic acid,m-nitrophenoxyacetic acid,3-nitrophenoxy-acetic acid,acmc-209eqk,3-nitrophenoxyaceticacid,3-nitro-phenoxy-acetic acid |
| InChI Key | BNRRQAASFDGMMQ-UHFFFAOYSA-N |
| Molecular Formula | C8H7NO5 |
(4-Hydroxyphenoxy)acetic Acid 99.0+%, TCI America™
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CAS: 1878-84-8 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00014362 InChI Key: PKGWLCZTTHWKIZ-UHFFFAOYSA-N Synonym: 4-hydroxyphenoxyacetic acid,4-hydroxyphenoxy acetic acid,2-4-hydroxyphenoxy acetic acid,4-hydroxypheoxyacetate,acetic acid, 4-hydroxyphenoxy,4-hydroxy-phenoxy-acetic acid,p-hydroxyphenoxyacetic acid,acetic acid, 2-4-hydroxyphenoxy,acetic acid, p-hydroxyphenoxy,4-carboxymethoxy phenol PubChem CID: 15881 ChEBI: CHEBI:1881 IUPAC Name: 2-(4-hydroxyphenoxy)acetic acid SMILES: C1=CC(=CC=C1O)OCC(=O)O
| PubChem CID | 15881 |
|---|---|
| CAS | 1878-84-8 |
| Molecular Weight (g/mol) | 168.148 |
| ChEBI | CHEBI:1881 |
| MDL Number | MFCD00014362 |
| SMILES | C1=CC(=CC=C1O)OCC(=O)O |
| Synonym | 4-hydroxyphenoxyacetic acid,4-hydroxyphenoxy acetic acid,2-4-hydroxyphenoxy acetic acid,4-hydroxypheoxyacetate,acetic acid, 4-hydroxyphenoxy,4-hydroxy-phenoxy-acetic acid,p-hydroxyphenoxyacetic acid,acetic acid, 2-4-hydroxyphenoxy,acetic acid, p-hydroxyphenoxy,4-carboxymethoxy phenol |
| IUPAC Name | 2-(4-hydroxyphenoxy)acetic acid |
| InChI Key | PKGWLCZTTHWKIZ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
1-Chloro-3-iodobenzene (stabilized with Copper chip) 97.0+%, TCI America™
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CAS: 625-99-0 Molecular Formula: C6H4ClI Molecular Weight (g/mol): 238.45 MDL Number: MFCD00001046 InChI Key: JMLWXCJXOYDXRN-UHFFFAOYSA-N Synonym: 3-chloroiodobenzene,m-chloroiodobenzene,benzene, 1-chloro-3-iodo,3-iodochlorobenzene,3-chloro-1-iodobenzene,1-chloro-3-iodo-benzene,m-chlorophenyl iodide,m-iodochlorobenzene,metachloroiodobenzene,3-chloro-iodobenzene PubChem CID: 12269 IUPAC Name: 1-chloro-3-iodobenzene SMILES: ClC1=CC=CC(I)=C1
| PubChem CID | 12269 |
|---|---|
| CAS | 625-99-0 |
| Molecular Weight (g/mol) | 238.45 |
| MDL Number | MFCD00001046 |
| SMILES | ClC1=CC=CC(I)=C1 |
| Synonym | 3-chloroiodobenzene,m-chloroiodobenzene,benzene, 1-chloro-3-iodo,3-iodochlorobenzene,3-chloro-1-iodobenzene,1-chloro-3-iodo-benzene,m-chlorophenyl iodide,m-iodochlorobenzene,metachloroiodobenzene,3-chloro-iodobenzene |
| IUPAC Name | 1-chloro-3-iodobenzene |
| InChI Key | JMLWXCJXOYDXRN-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClI |
o-Toluidine-4-sulfonic Acid Sodium Salt Tetrahydrate 98.0+%, TCI America™
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CAS: 63450-43-1 Molecular Formula: C7H8NNaO3S Molecular Weight (g/mol): 209.195 MDL Number: MFCD00070549 InChI Key: RVSNUNNCRYLEEM-UHFFFAOYSA-M Synonym: 2-Aminotoluene-5-sulfonic Acid Sodium Salt, Sodium 2-Aminotoluene-5-sulfonate, Sodium o-Toluidine-4-sulfonate, 4-Amino-3-methylbenzenesulfonic Acid Sodium Salt, Sodium 4-Amino-3-methylbenzenesulfonate PubChem CID: 23695986 IUPAC Name: sodium;4-amino-3-methylbenzenesulfonate SMILES: CC1=C(C=CC(=C1)S(=O)(=O)[O-])N.[Na+]
| PubChem CID | 23695986 |
|---|---|
| CAS | 63450-43-1 |
| Molecular Weight (g/mol) | 209.195 |
| MDL Number | MFCD00070549 |
| SMILES | CC1=C(C=CC(=C1)S(=O)(=O)[O-])N.[Na+] |
| Synonym | 2-Aminotoluene-5-sulfonic Acid Sodium Salt, Sodium 2-Aminotoluene-5-sulfonate, Sodium o-Toluidine-4-sulfonate, 4-Amino-3-methylbenzenesulfonic Acid Sodium Salt, Sodium 4-Amino-3-methylbenzenesulfonate |
| IUPAC Name | sodium;4-amino-3-methylbenzenesulfonate |
| InChI Key | RVSNUNNCRYLEEM-UHFFFAOYSA-M |
| Molecular Formula | C7H8NNaO3S |
2,3,6,7,10,11-Hexakis[(n-octyl)oxy]triphenylene 98.0+%, TCI America™
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CAS: 70351-87-0 Molecular Formula: C66H108O6 Molecular Weight (g/mol): 997.58 MDL Number: MFCD20528916 InChI Key: IUFDADHEWRYRSP-UHFFFAOYSA-N PubChem CID: 15219108 IUPAC Name: 2,3,6,7,10,11-hexakis(octyloxy)triphenylene SMILES: CCCCCCCCOC1=C(OCCCCCCCC)C=C2C(=C1)C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C1C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C21
| PubChem CID | 15219108 |
|---|---|
| CAS | 70351-87-0 |
| Molecular Weight (g/mol) | 997.58 |
| MDL Number | MFCD20528916 |
| SMILES | CCCCCCCCOC1=C(OCCCCCCCC)C=C2C(=C1)C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C1C1=CC(OCCCCCCCC)=C(OCCCCCCCC)C=C21 |
| IUPAC Name | 2,3,6,7,10,11-hexakis(octyloxy)triphenylene |
| InChI Key | IUFDADHEWRYRSP-UHFFFAOYSA-N |
| Molecular Formula | C66H108O6 |
Miconazole Nitrate 98.0+%, TCI America™
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CAS: 22832-87-7 Molecular Formula: C18H15Cl4N3O4 Molecular Weight (g/mol): 479.14 MDL Number: MFCD00058161 InChI Key: MCCACAIVAXEFAL-UHFFFAOYNA-N Synonym: miconazole nitrate,albistat,andergin,aflorix,conofite,florid,micatin,gyno-monistat,epi-monistat,gyno-daktar PubChem CID: 68553 IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole; nitric acid SMILES: O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
| PubChem CID | 68553 |
|---|---|
| CAS | 22832-87-7 |
| Molecular Weight (g/mol) | 479.14 |
| MDL Number | MFCD00058161 |
| SMILES | O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1 |
| Synonym | miconazole nitrate,albistat,andergin,aflorix,conofite,florid,micatin,gyno-monistat,epi-monistat,gyno-daktar |
| IUPAC Name | 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole; nitric acid |
| InChI Key | MCCACAIVAXEFAL-UHFFFAOYNA-N |
| Molecular Formula | C18H15Cl4N3O4 |
3-Fluorocatechol 98.0+%, TCI America™
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CAS: 363-52-0 Molecular Formula: C6H5FO2 Molecular Weight (g/mol): 128.10 MDL Number: MFCD00042582 InChI Key: DXOSJQLIRGXWCF-UHFFFAOYSA-N Synonym: 3-fluorocatechol,pyrocatechol, 3-fluoro,1,2-benzenediol, 3-fluoro,1,2-dihydroxy-3-fluorobenzene,3-fluoro-1,2-dihydroxybenzene,3-fluoro-1,2-benzenediol,1-fluoro-2,3-dihydroxybenzene,3fa,pubchem4142 PubChem CID: 67764 ChEBI: CHEBI:39876 IUPAC Name: 3-fluorobenzene-1,2-diol SMILES: OC1=CC=CC(F)=C1O
| PubChem CID | 67764 |
|---|---|
| CAS | 363-52-0 |
| Molecular Weight (g/mol) | 128.10 |
| ChEBI | CHEBI:39876 |
| MDL Number | MFCD00042582 |
| SMILES | OC1=CC=CC(F)=C1O |
| Synonym | 3-fluorocatechol,pyrocatechol, 3-fluoro,1,2-benzenediol, 3-fluoro,1,2-dihydroxy-3-fluorobenzene,3-fluoro-1,2-dihydroxybenzene,3-fluoro-1,2-benzenediol,1-fluoro-2,3-dihydroxybenzene,3fa,pubchem4142 |
| IUPAC Name | 3-fluorobenzene-1,2-diol |
| InChI Key | DXOSJQLIRGXWCF-UHFFFAOYSA-N |
| Molecular Formula | C6H5FO2 |
Benzopinacol 95.0+%, TCI America™
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CAS: 464-72-2 Molecular Formula: C26H22O2 Molecular Weight (g/mol): 366.46 MDL Number: MFCD00004448 InChI Key: MFEWNFVBWPABCX-UHFFFAOYSA-N Synonym: benzopinacol,benzopinacole,benzopinacone,benzpinacol,benzpinacone,tetraphenylethylene glycol,tetraphenyl-1,2-ethanediol,benzophenone pinacol,1,1,2,2-tetraphenyl-1,2-ethanediol,1,2-ethanediol, 1,1,2,2-tetraphenyl PubChem CID: 94766 IUPAC Name: 1,1,2,2-tetraphenylethane-1,2-diol SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O
| PubChem CID | 94766 |
|---|---|
| CAS | 464-72-2 |
| Molecular Weight (g/mol) | 366.46 |
| MDL Number | MFCD00004448 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)(C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O |
| Synonym | benzopinacol,benzopinacole,benzopinacone,benzpinacol,benzpinacone,tetraphenylethylene glycol,tetraphenyl-1,2-ethanediol,benzophenone pinacol,1,1,2,2-tetraphenyl-1,2-ethanediol,1,2-ethanediol, 1,1,2,2-tetraphenyl |
| IUPAC Name | 1,1,2,2-tetraphenylethane-1,2-diol |
| InChI Key | MFEWNFVBWPABCX-UHFFFAOYSA-N |
| Molecular Formula | C26H22O2 |
2,6-Dimethoxyphenol 98.0+%, TCI America™
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CAS: 91-10-1 Molecular Formula: C8H10O3 Molecular Weight (g/mol): 154.17 MDL Number: MFCD00064434 InChI Key: KLIDCXVFHGNTTM-UHFFFAOYSA-N Synonym: syringol,pyrogallol 1,3-dimethyl ether,1,3-dimethyl pyrogallate,phenol, 2,6-dimethoxy,2-hydroxy-1,3-dimethoxybenzene,1,3-di-o-methylpyrogallol,1,3-dimethoxy-2-hydroxybenzene,2,6-dimethoxy-phenol,pyrogallol dimethylether,2,6-dwumetoksyfenol PubChem CID: 7041 ChEBI: CHEBI:955 IUPAC Name: 2,6-dimethoxyphenol SMILES: COC1=CC=CC(OC)=C1O
| PubChem CID | 7041 |
|---|---|
| CAS | 91-10-1 |
| Molecular Weight (g/mol) | 154.17 |
| ChEBI | CHEBI:955 |
| MDL Number | MFCD00064434 |
| SMILES | COC1=CC=CC(OC)=C1O |
| Synonym | syringol,pyrogallol 1,3-dimethyl ether,1,3-dimethyl pyrogallate,phenol, 2,6-dimethoxy,2-hydroxy-1,3-dimethoxybenzene,1,3-di-o-methylpyrogallol,1,3-dimethoxy-2-hydroxybenzene,2,6-dimethoxy-phenol,pyrogallol dimethylether,2,6-dwumetoksyfenol |
| IUPAC Name | 2,6-dimethoxyphenol |
| InChI Key | KLIDCXVFHGNTTM-UHFFFAOYSA-N |
| Molecular Formula | C8H10O3 |
o-Tolyl 3,5-Xylyl Ether 97.0+%, TCI America™
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CAS: 196604-20-3 Molecular Formula: C15H16O Molecular Weight (g/mol): 212.292 InChI Key: YCAZRHVXMXMPEY-UHFFFAOYSA-N PubChem CID: 15324946 IUPAC Name: 1,3-dimethyl-5-(2-methylphenoxy)benzene SMILES: CC1=CC=CC=C1OC2=CC(=CC(=C2)C)C
| PubChem CID | 15324946 |
|---|---|
| CAS | 196604-20-3 |
| Molecular Weight (g/mol) | 212.292 |
| SMILES | CC1=CC=CC=C1OC2=CC(=CC(=C2)C)C |
| IUPAC Name | 1,3-dimethyl-5-(2-methylphenoxy)benzene |
| InChI Key | YCAZRHVXMXMPEY-UHFFFAOYSA-N |
| Molecular Formula | C15H16O |
alpha,alpha'-Dichloro-o-xylene 99.0+%, TCI America™
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CAS: 612-12-4 Molecular Formula: C8H8Cl2 Molecular Weight (g/mol): 175.05 MDL Number: MFCD00000903 InChI Key: FMGGHNGKHRCJLL-UHFFFAOYSA-N Synonym: 1,2-bis chloromethyl benzene,o-xylylene dichloride,alpha,alpha'-dichloro-o-xylene,o-bis chloromethyl benzene,benzene, 1,2-bis chloromethyl,ccris 1773,o-xylene, alpha,alpha'-dichloro,benzene, 1,2-dichloromethyl,.alpha.,.alpha.'-dichloro-o-xylene,o-xylylenchlorid PubChem CID: 11919 IUPAC Name: 1,2-bis(chloromethyl)benzene SMILES: ClCC1=CC=CC=C1CCl
| PubChem CID | 11919 |
|---|---|
| CAS | 612-12-4 |
| Molecular Weight (g/mol) | 175.05 |
| MDL Number | MFCD00000903 |
| SMILES | ClCC1=CC=CC=C1CCl |
| Synonym | 1,2-bis chloromethyl benzene,o-xylylene dichloride,alpha,alpha'-dichloro-o-xylene,o-bis chloromethyl benzene,benzene, 1,2-bis chloromethyl,ccris 1773,o-xylene, alpha,alpha'-dichloro,benzene, 1,2-dichloromethyl,.alpha.,.alpha.'-dichloro-o-xylene,o-xylylenchlorid |
| IUPAC Name | 1,2-bis(chloromethyl)benzene |
| InChI Key | FMGGHNGKHRCJLL-UHFFFAOYSA-N |
| Molecular Formula | C8H8Cl2 |
4-Nitrophenol (0.25% in Water) [for pH Determination], TCI America™
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CAS: 100-02-7 Molecular Formula: C6H5NO3 Molecular Weight (g/mol): 139.11 MDL Number: MFCD00007331 InChI Key: BTJIUGUIPKRLHP-UHFFFAOYSA-N Synonym: p-nitrophenol,phenol, 4-nitro,paranitrophenol,niphen,4-hydroxynitrobenzene,p-hydroxynitrobenzene,phenol, p-nitro,mononitrophenol,paranitrofenol,paranitrofenolo PubChem CID: 980 ChEBI: CHEBI:16836 IUPAC Name: 4-nitrophenol SMILES: OC1=CC=C(C=C1)[N+]([O-])=O
| PubChem CID | 980 |
|---|---|
| CAS | 100-02-7 |
| Molecular Weight (g/mol) | 139.11 |
| ChEBI | CHEBI:16836 |
| MDL Number | MFCD00007331 |
| SMILES | OC1=CC=C(C=C1)[N+]([O-])=O |
| Synonym | p-nitrophenol,phenol, 4-nitro,paranitrophenol,niphen,4-hydroxynitrobenzene,p-hydroxynitrobenzene,phenol, p-nitro,mononitrophenol,paranitrofenol,paranitrofenolo |
| IUPAC Name | 4-nitrophenol |
| InChI Key | BTJIUGUIPKRLHP-UHFFFAOYSA-N |
| Molecular Formula | C6H5NO3 |