Benzenoids
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5-Bromo-2-fluorobenzotrifluoride 98.0+%, TCI America™
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CAS: 393-37-3 Molecular Formula: C7H3BrF4 Molecular Weight (g/mol): 243.00 MDL Number: MFCD00042493 InChI Key: AJLIJYGWAXPEOK-UHFFFAOYSA-N Synonym: 5-bromo-2-fluorobenzotrifluoride,4-bromo-1-fluoro-2-trifluoromethyl benzene,2-fluoro-5-bromobenzotrifluoride,4-fluoro-3-trifluoromethyl bromobenzene,5-bromo-alpha,alpha,alpha,2-tetrafluorotoluene,5-bromo-2-fluoro-trifluoromethyl benzene,2-fluoro-5-bromo benzotrifluoride,1-bromo-4-fluoro-3-trifluoromethyl benzene,benzene, 4-bromo-1-fluoro-2-trifluoromethyl,acmc-209j4s PubChem CID: 2736325 IUPAC Name: 4-bromo-1-fluoro-2-(trifluoromethyl)benzene SMILES: FC1=CC=C(Br)C=C1C(F)(F)F
| PubChem CID | 2736325 |
|---|---|
| CAS | 393-37-3 |
| Molecular Weight (g/mol) | 243.00 |
| MDL Number | MFCD00042493 |
| SMILES | FC1=CC=C(Br)C=C1C(F)(F)F |
| Synonym | 5-bromo-2-fluorobenzotrifluoride,4-bromo-1-fluoro-2-trifluoromethyl benzene,2-fluoro-5-bromobenzotrifluoride,4-fluoro-3-trifluoromethyl bromobenzene,5-bromo-alpha,alpha,alpha,2-tetrafluorotoluene,5-bromo-2-fluoro-trifluoromethyl benzene,2-fluoro-5-bromo benzotrifluoride,1-bromo-4-fluoro-3-trifluoromethyl benzene,benzene, 4-bromo-1-fluoro-2-trifluoromethyl,acmc-209j4s |
| IUPAC Name | 4-bromo-1-fluoro-2-(trifluoromethyl)benzene |
| InChI Key | AJLIJYGWAXPEOK-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF4 |
2-Fluorophenol 98.0+%, TCI America™
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CAS: 367-12-4 Molecular Formula: C6H5FO Molecular Weight (g/mol): 112.10 MDL Number: MFCD00002155 InChI Key: HFHFGHLXUCOHLN-UHFFFAOYSA-N Synonym: o-fluorophenol,phenol, 2-fluoro,phenol, o-fluoro,1-fluoro-2-hydroxybenzene,2-fluorohydroxybenzene,fluorophenol,unii-i9ow1nly9r,2-fluoro-phenol,phenol, fluoro,ccris 1226 PubChem CID: 9707 IUPAC Name: 2-fluorophenol SMILES: OC1=CC=CC=C1F
| PubChem CID | 9707 |
|---|---|
| CAS | 367-12-4 |
| Molecular Weight (g/mol) | 112.10 |
| MDL Number | MFCD00002155 |
| SMILES | OC1=CC=CC=C1F |
| Synonym | o-fluorophenol,phenol, 2-fluoro,phenol, o-fluoro,1-fluoro-2-hydroxybenzene,2-fluorohydroxybenzene,fluorophenol,unii-i9ow1nly9r,2-fluoro-phenol,phenol, fluoro,ccris 1226 |
| IUPAC Name | 2-fluorophenol |
| InChI Key | HFHFGHLXUCOHLN-UHFFFAOYSA-N |
| Molecular Formula | C6H5FO |
4-Chlorophenyl Phosphorodichloridate 97.0+%, TCI America™
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CAS: 772-79-2 Molecular Formula: C6H4Cl3O2P Molecular Weight (g/mol): 245.42 MDL Number: MFCD00009705 InChI Key: CCZMQYGSXWZFKI-UHFFFAOYSA-N Synonym: 4-chlorophenyl phosphorodichloridate,p-chlorophenyl dichlorophosphate,4-chlorophenyl dichlorophosphate,4-chlorophenylphosphorodichloridate,phosphorodichloridic acid, 4-chlorophenyl ester,4-chlorophenylphosphoryl dichloride,acmc-1bjgo,cczmqygsxwzfki-uhfffaoysa,4-chlorophenyl dichlorophosphinate,4-chlorophenyl dichloridophosphate # PubChem CID: 69879 IUPAC Name: 1-chloro-4-dichlorophosphoryloxybenzene SMILES: C1=CC(=CC=C1OP(=O)(Cl)Cl)Cl
| PubChem CID | 69879 |
|---|---|
| CAS | 772-79-2 |
| Molecular Weight (g/mol) | 245.42 |
| MDL Number | MFCD00009705 |
| SMILES | C1=CC(=CC=C1OP(=O)(Cl)Cl)Cl |
| Synonym | 4-chlorophenyl phosphorodichloridate,p-chlorophenyl dichlorophosphate,4-chlorophenyl dichlorophosphate,4-chlorophenylphosphorodichloridate,phosphorodichloridic acid, 4-chlorophenyl ester,4-chlorophenylphosphoryl dichloride,acmc-1bjgo,cczmqygsxwzfki-uhfffaoysa,4-chlorophenyl dichlorophosphinate,4-chlorophenyl dichloridophosphate # |
| IUPAC Name | 1-chloro-4-dichlorophosphoryloxybenzene |
| InChI Key | CCZMQYGSXWZFKI-UHFFFAOYSA-N |
| Molecular Formula | C6H4Cl3O2P |
5-Amino-2-naphthalenesulfonic Acid 97.0+%, TCI America™
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CAS: 119-79-9 Molecular Formula: C10H9NO3S Molecular Weight (g/mol): 223.246 MDL Number: MFCD00004030 InChI Key: UWPJYQYRSWYIGZ-UHFFFAOYSA-N Synonym: 5-amino-2-naphthalenesulfonic acid,1,6-cleve's acid,1-aminonaphthalene-6-sulfonic acid,2-naphthalenesulfonic acid, 5-amino,1-naphthylamine-6-sulfonic acid,kyselina cleve,cleve's acid-1,6,1-amino-6-sulfonaphthalene,5-naphthylamine-2-sulfonic acid,cleve's beta-acid PubChem CID: 8408 ChEBI: CHEBI:44188 IUPAC Name: 5-aminonaphthalene-2-sulfonic acid SMILES: C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)N
| PubChem CID | 8408 |
|---|---|
| CAS | 119-79-9 |
| Molecular Weight (g/mol) | 223.246 |
| ChEBI | CHEBI:44188 |
| MDL Number | MFCD00004030 |
| SMILES | C1=CC2=C(C=CC(=C2)S(=O)(=O)O)C(=C1)N |
| Synonym | 5-amino-2-naphthalenesulfonic acid,1,6-cleve's acid,1-aminonaphthalene-6-sulfonic acid,2-naphthalenesulfonic acid, 5-amino,1-naphthylamine-6-sulfonic acid,kyselina cleve,cleve's acid-1,6,1-amino-6-sulfonaphthalene,5-naphthylamine-2-sulfonic acid,cleve's beta-acid |
| IUPAC Name | 5-aminonaphthalene-2-sulfonic acid |
| InChI Key | UWPJYQYRSWYIGZ-UHFFFAOYSA-N |
| Molecular Formula | C10H9NO3S |
1-Nitro-3-(trifluoromethoxy)benzene 98.0+%, TCI America™
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CAS: 2995-45-1 Molecular Formula: C7H4F3NO3 Molecular Weight (g/mol): 207.11 MDL Number: MFCD00041011 InChI Key: QBWJNDOQIAARBT-UHFFFAOYSA-N PubChem CID: 2777297 IUPAC Name: 1-nitro-3-(trifluoromethoxy)benzene SMILES: [O-][N+](=O)C1=CC(OC(F)(F)F)=CC=C1
| PubChem CID | 2777297 |
|---|---|
| CAS | 2995-45-1 |
| Molecular Weight (g/mol) | 207.11 |
| MDL Number | MFCD00041011 |
| SMILES | [O-][N+](=O)C1=CC(OC(F)(F)F)=CC=C1 |
| IUPAC Name | 1-nitro-3-(trifluoromethoxy)benzene |
| InChI Key | QBWJNDOQIAARBT-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3NO3 |
4-(Trifluoromethyl)phenylacetonitrile 98.0+%, TCI America™
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CAS: 2338-75-2 Molecular Formula: C9H6F3N Molecular Weight (g/mol): 185.15 MDL Number: MFCD00001921 InChI Key: QNKOCFJZJWOXDE-UHFFFAOYSA-N Synonym: 4-trifluoromethyl phenylacetonitrile,2-4-trifluoromethyl phenyl acetonitrile,4-trifluoromethyl benzyl cyanide,p-trifluoromethylbenzyl cyanide,4-trifluoromethyl phenyl acetonitrile,4-trifluoromethyl-phenyl-acetonitrile,benzeneacetonitrile, 4-trifluoromethyl,4-trifluoromethylbenzyl cyanide,p-trifluoromethylphenylacetonitrile PubChem CID: 75359 IUPAC Name: 2-[4-(trifluoromethyl)phenyl]acetonitrile SMILES: FC(F)(F)C1=CC=C(CC#N)C=C1
| PubChem CID | 75359 |
|---|---|
| CAS | 2338-75-2 |
| Molecular Weight (g/mol) | 185.15 |
| MDL Number | MFCD00001921 |
| SMILES | FC(F)(F)C1=CC=C(CC#N)C=C1 |
| Synonym | 4-trifluoromethyl phenylacetonitrile,2-4-trifluoromethyl phenyl acetonitrile,4-trifluoromethyl benzyl cyanide,p-trifluoromethylbenzyl cyanide,4-trifluoromethyl phenyl acetonitrile,4-trifluoromethyl-phenyl-acetonitrile,benzeneacetonitrile, 4-trifluoromethyl,4-trifluoromethylbenzyl cyanide,p-trifluoromethylphenylacetonitrile |
| IUPAC Name | 2-[4-(trifluoromethyl)phenyl]acetonitrile |
| InChI Key | QNKOCFJZJWOXDE-UHFFFAOYSA-N |
| Molecular Formula | C9H6F3N |
6-Hydroxy-1-naphthoic Acid 98.0+%, TCI America™
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CAS: 2437-17-4 Molecular Formula: C11H8O3 Molecular Weight (g/mol): 188.18 MDL Number: MFCD00209983 InChI Key: JCJUKCIXTRWAQY-UHFFFAOYSA-N Synonym: 6-Hydroxy-1-naphthalenecarboxylic Acid PubChem CID: 5463800 IUPAC Name: 6-hydroxynaphthalene-1-carboxylic acid SMILES: OC(=O)C1=C2C=CC(O)=CC2=CC=C1
| PubChem CID | 5463800 |
|---|---|
| CAS | 2437-17-4 |
| Molecular Weight (g/mol) | 188.18 |
| MDL Number | MFCD00209983 |
| SMILES | OC(=O)C1=C2C=CC(O)=CC2=CC=C1 |
| Synonym | 6-Hydroxy-1-naphthalenecarboxylic Acid |
| IUPAC Name | 6-hydroxynaphthalene-1-carboxylic acid |
| InChI Key | JCJUKCIXTRWAQY-UHFFFAOYSA-N |
| Molecular Formula | C11H8O3 |
Nickel(II) p-Toluenesulfonate Hexahydrate 98.0+%, TCI America™
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CAS: 6944-05-4 Molecular Formula: C7H8NiO3S Molecular Weight (g/mol): 230.89 MDL Number: MFCD00070542 InChI Key: KXIBSBLPGLHJNY-UHFFFAOYSA-N Synonym: p-Toluenesulfonic Acid Nickel(II) Salt PubChem CID: 54603762 IUPAC Name: 4-methylbenzenesulfonic acid;nickel SMILES: CC1=CC=C(C=C1)S(=O)(=O)O.[Ni]
| PubChem CID | 54603762 |
|---|---|
| CAS | 6944-05-4 |
| Molecular Weight (g/mol) | 230.89 |
| MDL Number | MFCD00070542 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.[Ni] |
| Synonym | p-Toluenesulfonic Acid Nickel(II) Salt |
| IUPAC Name | 4-methylbenzenesulfonic acid;nickel |
| InChI Key | KXIBSBLPGLHJNY-UHFFFAOYSA-N |
| Molecular Formula | C7H8NiO3S |
4-Aminodiphenylmethane 97.0+%, TCI America™
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CAS: 1135-12-2 Molecular Formula: C13H13N Molecular Weight (g/mol): 183.254 MDL Number: MFCD00047861 InChI Key: WDTRNCFZFQIWLM-UHFFFAOYSA-N Synonym: 4-aminodiphenylmethane,benzenamine, 4-phenylmethyl,4-benzyl-phenylamine,4-benzylbenzenamine,4-benzylphenylamine,4-benzylaniline, hcl,4-benzyl aniline,4-benzyl-aniline,#,p-aminodiphenylmethan PubChem CID: 136914 IUPAC Name: 4-benzylaniline SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)N
| PubChem CID | 136914 |
|---|---|
| CAS | 1135-12-2 |
| Molecular Weight (g/mol) | 183.254 |
| MDL Number | MFCD00047861 |
| SMILES | C1=CC=C(C=C1)CC2=CC=C(C=C2)N |
| Synonym | 4-aminodiphenylmethane,benzenamine, 4-phenylmethyl,4-benzyl-phenylamine,4-benzylbenzenamine,4-benzylphenylamine,4-benzylaniline, hcl,4-benzyl aniline,4-benzyl-aniline,#,p-aminodiphenylmethan |
| IUPAC Name | 4-benzylaniline |
| InChI Key | WDTRNCFZFQIWLM-UHFFFAOYSA-N |
| Molecular Formula | C13H13N |
Dimethyl Bromoterephthalate 98.0+%, TCI America™
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CAS: 18643-86-2 Molecular Formula: C10H9BrO4 Molecular Weight (g/mol): 273.082 MDL Number: MFCD00060638 InChI Key: VUMPFOPENBVFOF-UHFFFAOYSA-N Synonym: Bromoterephthalic Acid Dimethyl Ester PubChem CID: 87741 IUPAC Name: dimethyl 2-bromobenzene-1,4-dicarboxylate SMILES: COC(=O)C1=CC(=C(C=C1)C(=O)OC)Br
| PubChem CID | 87741 |
|---|---|
| CAS | 18643-86-2 |
| Molecular Weight (g/mol) | 273.082 |
| MDL Number | MFCD00060638 |
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)Br |
| Synonym | Bromoterephthalic Acid Dimethyl Ester |
| IUPAC Name | dimethyl 2-bromobenzene-1,4-dicarboxylate |
| InChI Key | VUMPFOPENBVFOF-UHFFFAOYSA-N |
| Molecular Formula | C10H9BrO4 |
3-Methoxy-5-methylphenol 98.0+%, TCI America™
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CAS: 3209-13-0 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.166 MDL Number: MFCD00059261 InChI Key: NOTCZLKDULMKBR-UHFFFAOYSA-N Synonym: 3-hydroxy-5-methoxytoluene,phenol, 3-methoxy-5-methyl,5-methoxy-m-cresol,orcinol monomethyl ether,o-methylorcinol,3-methoxy-5-methyl-phenol,unii-uya9w3l847,5-methoxy-3-methylphenol,orcinyl ter,3-methoxy-5-methylphenol PubChem CID: 76674 IUPAC Name: 3-methoxy-5-methylphenol SMILES: CC1=CC(=CC(=C1)OC)O
| PubChem CID | 76674 |
|---|---|
| CAS | 3209-13-0 |
| Molecular Weight (g/mol) | 138.166 |
| MDL Number | MFCD00059261 |
| SMILES | CC1=CC(=CC(=C1)OC)O |
| Synonym | 3-hydroxy-5-methoxytoluene,phenol, 3-methoxy-5-methyl,5-methoxy-m-cresol,orcinol monomethyl ether,o-methylorcinol,3-methoxy-5-methyl-phenol,unii-uya9w3l847,5-methoxy-3-methylphenol,orcinyl ter,3-methoxy-5-methylphenol |
| IUPAC Name | 3-methoxy-5-methylphenol |
| InChI Key | NOTCZLKDULMKBR-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
4-(4-Chlorophenoxy)benzonitrile 98.0+%, TCI America™
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CAS: 74448-92-3 Molecular Formula: C13H8ClNO Molecular Weight (g/mol): 229.663 InChI Key: SOTAPBLDXLHNRZ-UHFFFAOYSA-N Synonym: 4-Chloro-4′C-cyanodiphenyl Ether PubChem CID: 11195570 IUPAC Name: 4-(4-chlorophenoxy)benzonitrile SMILES: C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)Cl
| PubChem CID | 11195570 |
|---|---|
| CAS | 74448-92-3 |
| Molecular Weight (g/mol) | 229.663 |
| SMILES | C1=CC(=CC=C1C#N)OC2=CC=C(C=C2)Cl |
| Synonym | 4-Chloro-4′C-cyanodiphenyl Ether |
| IUPAC Name | 4-(4-chlorophenoxy)benzonitrile |
| InChI Key | SOTAPBLDXLHNRZ-UHFFFAOYSA-N |
| Molecular Formula | C13H8ClNO |
1-Bromo-4-(phenylethynyl)benzene 98.0+%, TCI America™
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CAS: 13667-12-4 Molecular Formula: C14H9Br Molecular Weight (g/mol): 257.13 MDL Number: MFCD01596910 InChI Key: XLHCHVUFUPJPEO-UHFFFAOYSA-N Synonym: 1-(4-Bromophenyl)-2-phenylacetylene PubChem CID: 290888 IUPAC Name: 1-bromo-4-(2-phenylethynyl)benzene SMILES: C1=CC=C(C=C1)C#CC2=CC=C(C=C2)Br
| PubChem CID | 290888 |
|---|---|
| CAS | 13667-12-4 |
| Molecular Weight (g/mol) | 257.13 |
| MDL Number | MFCD01596910 |
| SMILES | C1=CC=C(C=C1)C#CC2=CC=C(C=C2)Br |
| Synonym | 1-(4-Bromophenyl)-2-phenylacetylene |
| IUPAC Name | 1-bromo-4-(2-phenylethynyl)benzene |
| InChI Key | XLHCHVUFUPJPEO-UHFFFAOYSA-N |
| Molecular Formula | C14H9Br |
2,5-Difluorobenzoic Acid 98.0+%, TCI America™
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CAS: 2991-28-8 Molecular Formula: C7H4F2O2 Molecular Weight (g/mol): 158.104 MDL Number: MFCD00002410 InChI Key: LBQMIAVIGLLBGW-UHFFFAOYSA-N Synonym: benzoic acid, 2,5-difluoro,2,5-difluorobenzoicacid,2,5-difluoro-benzoic acid,pubchem4935,2,5-difluorobenzic acid,acmc-1cj4a,ksc206g1b,rarechem al bo 0019,lbqmiavigllbgw-uhfffaoysa,2,5-difluorobenzoic acid PubChem CID: 76339 IUPAC Name: 2,5-difluorobenzoic acid SMILES: C1=CC(=C(C=C1F)C(=O)O)F
| PubChem CID | 76339 |
|---|---|
| CAS | 2991-28-8 |
| Molecular Weight (g/mol) | 158.104 |
| MDL Number | MFCD00002410 |
| SMILES | C1=CC(=C(C=C1F)C(=O)O)F |
| Synonym | benzoic acid, 2,5-difluoro,2,5-difluorobenzoicacid,2,5-difluoro-benzoic acid,pubchem4935,2,5-difluorobenzic acid,acmc-1cj4a,ksc206g1b,rarechem al bo 0019,lbqmiavigllbgw-uhfffaoysa,2,5-difluorobenzoic acid |
| IUPAC Name | 2,5-difluorobenzoic acid |
| InChI Key | LBQMIAVIGLLBGW-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O2 |
4-(Trifluoromethyl)benzaldehyde 95.0+%, TCI America™
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CAS: 455-19-6 Molecular Formula: C8H5F3O Molecular Weight (g/mol): 174.122 MDL Number: MFCD00006952 InChI Key: BEOBZEOPTQQELP-UHFFFAOYSA-N Synonym: 4-trifluoromethyl benzaldehyde,benzaldehyde, 4-trifluoromethyl,p-trifluoromethylbenzaldehyde,p-trifluoromethyl benzaldehyde,alpha,alpha,alpha-trifluoro-p-tolualdehyde,4'-trifluoromethyl benzaldehyde,p-trifluoromethyl-benzaldhyde,4-trifluoromethyl-benzaldehyde PubChem CID: 67996 IUPAC Name: 4-(trifluoromethyl)benzaldehyde SMILES: C1=CC(=CC=C1C=O)C(F)(F)F
| PubChem CID | 67996 |
|---|---|
| CAS | 455-19-6 |
| Molecular Weight (g/mol) | 174.122 |
| MDL Number | MFCD00006952 |
| SMILES | C1=CC(=CC=C1C=O)C(F)(F)F |
| Synonym | 4-trifluoromethyl benzaldehyde,benzaldehyde, 4-trifluoromethyl,p-trifluoromethylbenzaldehyde,p-trifluoromethyl benzaldehyde,alpha,alpha,alpha-trifluoro-p-tolualdehyde,4'-trifluoromethyl benzaldehyde,p-trifluoromethyl-benzaldhyde,4-trifluoromethyl-benzaldehyde |
| IUPAC Name | 4-(trifluoromethyl)benzaldehyde |
| InChI Key | BEOBZEOPTQQELP-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O |