Benzenoids
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Triphenyl Phosphite 97.0+%, TCI America™
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4-(Trifluoromethylthio)benzoic Acid 97.0+%, TCI America™
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CAS: 330-17-6 Molecular Formula: C8H5F3O2S Molecular Weight (g/mol): 222.181 MDL Number: MFCD00040906 InChI Key: UMOGQQWVQUQTQA-UHFFFAOYSA-N Synonym: 4-trifluoromethylthio benzoic acid,4-trifluoromethyl sulfanyl benzoic acid,4-trifluoromethyl thio benzoic acid,4-trifluoromethylsulfanyl-benzoic acid,4-trifluoromethylsulfanyl benzoic acid,4-trifluoromethyl-mercapto-benzoic acid,pubchem13674,acmc-209hxv,4-trifluoromethylthiobenzoic acid PubChem CID: 2777858 IUPAC Name: 4-(trifluoromethylsulfanyl)benzoic acid SMILES: C1=CC(=CC=C1C(=O)O)SC(F)(F)F
| PubChem CID | 2777858 |
|---|---|
| CAS | 330-17-6 |
| Molecular Weight (g/mol) | 222.181 |
| MDL Number | MFCD00040906 |
| SMILES | C1=CC(=CC=C1C(=O)O)SC(F)(F)F |
| Synonym | 4-trifluoromethylthio benzoic acid,4-trifluoromethyl sulfanyl benzoic acid,4-trifluoromethyl thio benzoic acid,4-trifluoromethylsulfanyl-benzoic acid,4-trifluoromethylsulfanyl benzoic acid,4-trifluoromethyl-mercapto-benzoic acid,pubchem13674,acmc-209hxv,4-trifluoromethylthiobenzoic acid |
| IUPAC Name | 4-(trifluoromethylsulfanyl)benzoic acid |
| InChI Key | UMOGQQWVQUQTQA-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3O2S |
o-Toluic Acid 98.0+%, TCI America™
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CAS: 118-90-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002477 InChI Key: ZWLPBLYKEWSWPD-UHFFFAOYSA-N Synonym: o-toluic acid,o-toluylic acid,orthotoluic acid,2-toluic acid,toluic acid,benzoic acid, 2-methyl,o-methylbenzoic acid,2-methyl-benzoic acid,benzoic acid, methyl,o-toluate PubChem CID: 8373 ChEBI: CHEBI:36632 IUPAC Name: 2-methylbenzoic acid SMILES: CC1=CC=CC=C1C(=O)O
| PubChem CID | 8373 |
|---|---|
| CAS | 118-90-1 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:36632 |
| MDL Number | MFCD00002477 |
| SMILES | CC1=CC=CC=C1C(=O)O |
| Synonym | o-toluic acid,o-toluylic acid,orthotoluic acid,2-toluic acid,toluic acid,benzoic acid, 2-methyl,o-methylbenzoic acid,2-methyl-benzoic acid,benzoic acid, methyl,o-toluate |
| IUPAC Name | 2-methylbenzoic acid |
| InChI Key | ZWLPBLYKEWSWPD-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
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 |
4-Acetamido-2-methylbenzoic Acid 96.0+%, TCI America™
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CAS: 103204-69-9 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.202 MDL Number: MFCD02258874 InChI Key: AQPDTYYKDYMCTH-UHFFFAOYSA-N Synonym: 4-acetylamino-2-methylbenzoic acid,benzoic acid, 4-acetylamino-2-methyl,4-acetamido-2-methyl-benzoic acid,acmc-20amqf,4-acetamido-o-toluic acid,4'-acetamido-2-methylbenzoicacid,4-acetylamino-2-methyl-benzoic acid,o-toluic acid, 4-acetamido-6ci,n-acetyl-4-amino-2-methyl-benzoic acid PubChem CID: 2735224 IUPAC Name: 4-acetamido-2-methylbenzoic acid SMILES: CC1=C(C=CC(=C1)NC(=O)C)C(=O)O
| PubChem CID | 2735224 |
|---|---|
| CAS | 103204-69-9 |
| Molecular Weight (g/mol) | 193.202 |
| MDL Number | MFCD02258874 |
| SMILES | CC1=C(C=CC(=C1)NC(=O)C)C(=O)O |
| Synonym | 4-acetylamino-2-methylbenzoic acid,benzoic acid, 4-acetylamino-2-methyl,4-acetamido-2-methyl-benzoic acid,acmc-20amqf,4-acetamido-o-toluic acid,4'-acetamido-2-methylbenzoicacid,4-acetylamino-2-methyl-benzoic acid,o-toluic acid, 4-acetamido-6ci,n-acetyl-4-amino-2-methyl-benzoic acid |
| IUPAC Name | 4-acetamido-2-methylbenzoic acid |
| InChI Key | AQPDTYYKDYMCTH-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO3 |
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-L-alanine Hydrate 98.0+%, TCI America™
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CAS: 35661-39-3 Molecular Formula: C18H17NO4 Molecular Weight (g/mol): 311.337 MDL Number: MFCD00037139 InChI Key: QWXZOFZKSQXPDC-NSHDSACASA-N Synonym: fmoc-ala-oh,fmoc-l-alanine,fmoc-l-alpha-alanine,9-fmoc-l-alanine,fmoc-l-ala-oh,n-fmoc-l-alanine,n-9h-fluoren-9-ylmethoxy carbonyl-l-alanine,n-9-fluorenylmethoxycarbonyl-l-alanine,fmoc-alanine,fmoc-l-ala PubChem CID: 6364642 IUPAC Name: (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid SMILES: CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
| PubChem CID | 6364642 |
|---|---|
| CAS | 35661-39-3 |
| Molecular Weight (g/mol) | 311.337 |
| MDL Number | MFCD00037139 |
| SMILES | CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13 |
| Synonym | fmoc-ala-oh,fmoc-l-alanine,fmoc-l-alpha-alanine,9-fmoc-l-alanine,fmoc-l-ala-oh,n-fmoc-l-alanine,n-9h-fluoren-9-ylmethoxy carbonyl-l-alanine,n-9-fluorenylmethoxycarbonyl-l-alanine,fmoc-alanine,fmoc-l-ala |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI Key | QWXZOFZKSQXPDC-NSHDSACASA-N |
| Molecular Formula | C18H17NO4 |
2-Bromo-4,6-dinitroaniline 98.0+%, TCI America™
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CAS: 1817-73-8 Molecular Formula: C6H4BrN3O4 Molecular Weight (g/mol): 262.019 MDL Number: MFCD00007146 InChI Key: KWMDHCLJYMVBNS-UHFFFAOYSA-N Synonym: 6-bromo-2,4-dinitroaniline,bromo dna,2,4-dinitro-6-bromoaniline,benzenamine, 2-bromo-4,6-dinitro,2-bromo-4,6-dinitroaminobenzene,2,4-dinitro-6-bromanilin,aniline, 2,4-dinitro-6-bromo,aniline, 2-bromo-4,6-dinitro,ccris 820,2,4-dinitro-6-bromanilin czech PubChem CID: 15752 IUPAC Name: 2-bromo-4,6-dinitroaniline SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)[N+](=O)[O-]
| PubChem CID | 15752 |
|---|---|
| CAS | 1817-73-8 |
| Molecular Weight (g/mol) | 262.019 |
| MDL Number | MFCD00007146 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N)Br)[N+](=O)[O-] |
| Synonym | 6-bromo-2,4-dinitroaniline,bromo dna,2,4-dinitro-6-bromoaniline,benzenamine, 2-bromo-4,6-dinitro,2-bromo-4,6-dinitroaminobenzene,2,4-dinitro-6-bromanilin,aniline, 2,4-dinitro-6-bromo,aniline, 2-bromo-4,6-dinitro,ccris 820,2,4-dinitro-6-bromanilin czech |
| IUPAC Name | 2-bromo-4,6-dinitroaniline |
| InChI Key | KWMDHCLJYMVBNS-UHFFFAOYSA-N |
| Molecular Formula | C6H4BrN3O4 |
2,4-Dimethoxyphenylacetic Acid 98.0+%, TCI America™
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CAS: 6496-89-5 Molecular Formula: C10H11O4 Molecular Weight (g/mol): 195.20 MDL Number: MFCD00183328 InChI Key: ZFXFMGARFHRTTO-UHFFFAOYSA-M Synonym: 2,4-dimethoxyphenylacetic acid,2-2,4-dimethoxyphenyl acetic acid,2,4-dimethoxyphenyl acetic acid,benzeneacetic acid, 2,4-dimethoxy,2,4-dimethoxybenzeneacetic acid,acmc-209nop,ksc497q2d,2,4-dimethoxyphenylaceticacid,2, 4-dimethoxyphenylacetic acid PubChem CID: 350555 IUPAC Name: 2-(2,4-dimethoxyphenyl)acetate SMILES: COC1=CC=C(CC([O-])=O)C(OC)=C1
| PubChem CID | 350555 |
|---|---|
| CAS | 6496-89-5 |
| Molecular Weight (g/mol) | 195.20 |
| MDL Number | MFCD00183328 |
| SMILES | COC1=CC=C(CC([O-])=O)C(OC)=C1 |
| Synonym | 2,4-dimethoxyphenylacetic acid,2-2,4-dimethoxyphenyl acetic acid,2,4-dimethoxyphenyl acetic acid,benzeneacetic acid, 2,4-dimethoxy,2,4-dimethoxybenzeneacetic acid,acmc-209nop,ksc497q2d,2,4-dimethoxyphenylaceticacid,2, 4-dimethoxyphenylacetic acid |
| IUPAC Name | 2-(2,4-dimethoxyphenyl)acetate |
| InChI Key | ZFXFMGARFHRTTO-UHFFFAOYSA-M |
| Molecular Formula | C10H11O4 |
2,3,5-Trifluorobenzonitrile 97.0+%, TCI America™
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CAS: 241154-09-6 Molecular Formula: C7H2F3N Molecular Weight (g/mol): 157.095 MDL Number: MFCD00083539 InChI Key: MMPKVFQMDMBXSG-UHFFFAOYSA-N Synonym: benzonitrile, 2,3,5-trifluoro,2,3,5-trifluorobenzenecarbonitrile,pubchem4823,intermediates-zcf02648,ksc552s4h,2,3,5-trifluoro-benzonitrile,benzonitrile,2,3,5-trifluoro,2,3,5-trifluoro benzonitrile PubChem CID: 2776998 IUPAC Name: 2,3,5-trifluorobenzonitrile SMILES: C1=C(C=C(C(=C1F)F)C#N)F
| PubChem CID | 2776998 |
|---|---|
| CAS | 241154-09-6 |
| Molecular Weight (g/mol) | 157.095 |
| MDL Number | MFCD00083539 |
| SMILES | C1=C(C=C(C(=C1F)F)C#N)F |
| Synonym | benzonitrile, 2,3,5-trifluoro,2,3,5-trifluorobenzenecarbonitrile,pubchem4823,intermediates-zcf02648,ksc552s4h,2,3,5-trifluoro-benzonitrile,benzonitrile,2,3,5-trifluoro,2,3,5-trifluoro benzonitrile |
| IUPAC Name | 2,3,5-trifluorobenzonitrile |
| InChI Key | MMPKVFQMDMBXSG-UHFFFAOYSA-N |
| Molecular Formula | C7H2F3N |
2-Bromo-4-fluorobenzaldehyde 98.0+%, TCI America™
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CAS: 59142-68-6 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00672923 InChI Key: OPZDXMCOWFPQPE-UHFFFAOYSA-N PubChem CID: 2773319 IUPAC Name: 2-bromo-4-fluorobenzaldehyde SMILES: FC1=CC(Br)=C(C=O)C=C1
| PubChem CID | 2773319 |
|---|---|
| CAS | 59142-68-6 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00672923 |
| SMILES | FC1=CC(Br)=C(C=O)C=C1 |
| IUPAC Name | 2-bromo-4-fluorobenzaldehyde |
| InChI Key | OPZDXMCOWFPQPE-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
Methyl 5-Methoxysalicylate 98.0+%, TCI America™
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CAS: 2905-82-0 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.18 MDL Number: MFCD00017185 InChI Key: DFNBGZODMHWKKK-UHFFFAOYSA-N Synonym: 5-Methoxysalicylic Acid Methyl Ester, Methyl 2-Hydroxy-5-methoxybenzoate, 2-Hydroxy-5-methoxybenzoic Acid Methyl Ester PubChem CID: 4072341 IUPAC Name: methyl 2-hydroxy-5-methoxybenzoate SMILES: COC(=O)C1=C(O)C=CC(OC)=C1
| PubChem CID | 4072341 |
|---|---|
| CAS | 2905-82-0 |
| Molecular Weight (g/mol) | 182.18 |
| MDL Number | MFCD00017185 |
| SMILES | COC(=O)C1=C(O)C=CC(OC)=C1 |
| Synonym | 5-Methoxysalicylic Acid Methyl Ester, Methyl 2-Hydroxy-5-methoxybenzoate, 2-Hydroxy-5-methoxybenzoic Acid Methyl Ester |
| IUPAC Name | methyl 2-hydroxy-5-methoxybenzoate |
| InChI Key | DFNBGZODMHWKKK-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
2,5-Difluorobenzophenone 96.0+%, TCI America™
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CAS: 85068-36-6 Molecular Formula: C13H8F2O Molecular Weight (g/mol): 218.203 MDL Number: MFCD00009899 InChI Key: HSCUAAMDKDZZKG-UHFFFAOYSA-N Synonym: 2,5-difluorobenzophenone,2,5-difluorophenyl phenyl methanone,2,5-difluoro-phenyl-phenyl-methanone,methanone, 2,5-difluorophenyl phenyl,2,5-difluoro diphenylmethanone,2,5-difluorophenyl-phenylmethanone,2,5-difluorophenyl phenyl ketone,pubchem4214,2.5-difluorobenzophenone,2,5-difluoro benzophenone PubChem CID: 522826 IUPAC Name: (2,5-difluorophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)F)F
| PubChem CID | 522826 |
|---|---|
| CAS | 85068-36-6 |
| Molecular Weight (g/mol) | 218.203 |
| MDL Number | MFCD00009899 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)F)F |
| Synonym | 2,5-difluorobenzophenone,2,5-difluorophenyl phenyl methanone,2,5-difluoro-phenyl-phenyl-methanone,methanone, 2,5-difluorophenyl phenyl,2,5-difluoro diphenylmethanone,2,5-difluorophenyl-phenylmethanone,2,5-difluorophenyl phenyl ketone,pubchem4214,2.5-difluorobenzophenone,2,5-difluoro benzophenone |
| IUPAC Name | (2,5-difluorophenyl)-phenylmethanone |
| InChI Key | HSCUAAMDKDZZKG-UHFFFAOYSA-N |
| Molecular Formula | C13H8F2O |
4-n-Octyloxybenzoic Acid 98.0+%, TCI America™
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CAS: 2493-84-7 Molecular Formula: C15H22O3 Molecular Weight (g/mol): 250.34 MDL Number: MFCD00013993 InChI Key: IALWCYFULVHLEC-UHFFFAOYSA-N Synonym: 4-octyloxybenzoic acid,4-n-octyloxybenzoic acid,4-octyloxy benzoic acid,p-octyloxybenzoic acid,p-octoxybenzoic acid,p-n-octyloxybenzoic acid,p-octyloxy benzoic acid,benzoic acid, 4-octyloxy,p-n-octyloxy benzoic acid,benzoic acid, p-octyloxy PubChem CID: 17231 IUPAC Name: 4-(octyloxy)benzoic acid SMILES: CCCCCCCCOC1=CC=C(C=C1)C(O)=O
| PubChem CID | 17231 |
|---|---|
| CAS | 2493-84-7 |
| Molecular Weight (g/mol) | 250.34 |
| MDL Number | MFCD00013993 |
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C(O)=O |
| Synonym | 4-octyloxybenzoic acid,4-n-octyloxybenzoic acid,4-octyloxy benzoic acid,p-octyloxybenzoic acid,p-octoxybenzoic acid,p-n-octyloxybenzoic acid,p-octyloxy benzoic acid,benzoic acid, 4-octyloxy,p-n-octyloxy benzoic acid,benzoic acid, p-octyloxy |
| IUPAC Name | 4-(octyloxy)benzoic acid |
| InChI Key | IALWCYFULVHLEC-UHFFFAOYSA-N |
| Molecular Formula | C15H22O3 |
2,2-Bis(4-acetoxyphenyl)propane 98.0+%, TCI America™
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CAS: 10192-62-8 Molecular Formula: C19H20O4 Molecular Weight (g/mol): 312.37 MDL Number: MFCD00026194 InChI Key: NSNHONPMCQYMNT-UHFFFAOYSA-N Synonym: bisphenol a diacetate,2,2-bis 4-acetoxyphenyl propane,phenol, 4,4'-1-methylethylidene bis-, diacetate,propane-2,2-diylbis 4,1-phenylene diacetate,phenol, 4,4'-1-methylethylidene bis-, 1,1'-diacetate,4-2-4-acetyloxyphenyl propan-2-yl phenyl acetate,4-2-4-acetyloxy phenyl propan-2-yl phenyl acetate,4-1-4-acetyloxyphenyl-isopropyl phenyl acetate,4,4'-isopropylidenediphenyl diacetate,propane-2,2-diyldi-4,1-phenylene diacetate PubChem CID: 82437 IUPAC Name: 4-{2-[4-(acetyloxy)phenyl]propan-2-yl}phenyl acetate SMILES: CC(=O)OC1=CC=C(C=C1)C(C)(C)C1=CC=C(OC(C)=O)C=C1
| PubChem CID | 82437 |
|---|---|
| CAS | 10192-62-8 |
| Molecular Weight (g/mol) | 312.37 |
| MDL Number | MFCD00026194 |
| SMILES | CC(=O)OC1=CC=C(C=C1)C(C)(C)C1=CC=C(OC(C)=O)C=C1 |
| Synonym | bisphenol a diacetate,2,2-bis 4-acetoxyphenyl propane,phenol, 4,4'-1-methylethylidene bis-, diacetate,propane-2,2-diylbis 4,1-phenylene diacetate,phenol, 4,4'-1-methylethylidene bis-, 1,1'-diacetate,4-2-4-acetyloxyphenyl propan-2-yl phenyl acetate,4-2-4-acetyloxy phenyl propan-2-yl phenyl acetate,4-1-4-acetyloxyphenyl-isopropyl phenyl acetate,4,4'-isopropylidenediphenyl diacetate,propane-2,2-diyldi-4,1-phenylene diacetate |
| IUPAC Name | 4-{2-[4-(acetyloxy)phenyl]propan-2-yl}phenyl acetate |
| InChI Key | NSNHONPMCQYMNT-UHFFFAOYSA-N |
| Molecular Formula | C19H20O4 |
3-Bromotoluene 98.0+%, TCI America™
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CAS: 591-17-3 Molecular Formula: C7H7Br Molecular Weight (g/mol): 171.04 MDL Number: MFCD00000085 InChI Key: WJIFKOVZNJTSGO-UHFFFAOYSA-N Synonym: 3-bromotoluene,m-bromotoluene,3-methylbromobenzene,benzene, 1-bromo-3-methyl,m-tolyl bromide,toluene, m-bromo,5-bromotoluene,3-bromo-1-methylbenzene,m-methylbromobenzene,3-methyl-1-bromobenzene PubChem CID: 11560 IUPAC Name: 1-bromo-3-methylbenzene SMILES: CC1=CC=CC(Br)=C1
| PubChem CID | 11560 |
|---|---|
| CAS | 591-17-3 |
| Molecular Weight (g/mol) | 171.04 |
| MDL Number | MFCD00000085 |
| SMILES | CC1=CC=CC(Br)=C1 |
| Synonym | 3-bromotoluene,m-bromotoluene,3-methylbromobenzene,benzene, 1-bromo-3-methyl,m-tolyl bromide,toluene, m-bromo,5-bromotoluene,3-bromo-1-methylbenzene,m-methylbromobenzene,3-methyl-1-bromobenzene |
| IUPAC Name | 1-bromo-3-methylbenzene |
| InChI Key | WJIFKOVZNJTSGO-UHFFFAOYSA-N |
| Molecular Formula | C7H7Br |