Benzenoids
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5-Bromo-2-methylbenzaldehyde 95.0+%, TCI America™
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CAS: 90050-59-2 Molecular Formula: C8H7BrO Molecular Weight (g/mol): 199.047 MDL Number: MFCD05662390 InChI Key: YILPAIKZHXATHY-UHFFFAOYSA-N PubChem CID: 10420289 IUPAC Name: 5-bromo-2-methylbenzaldehyde SMILES: CC1=C(C=C(C=C1)Br)C=O
| PubChem CID | 10420289 |
|---|---|
| CAS | 90050-59-2 |
| Molecular Weight (g/mol) | 199.047 |
| MDL Number | MFCD05662390 |
| SMILES | CC1=C(C=C(C=C1)Br)C=O |
| IUPAC Name | 5-bromo-2-methylbenzaldehyde |
| InChI Key | YILPAIKZHXATHY-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO |
trans-2-Butene-1,4-bis(triphenylphosphonium Chloride) 95.0+%, TCI America™
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CAS: 106423-29-4 Molecular Formula: C40H36Cl2P2 Molecular Weight (g/mol): 649.576 MDL Number: MFCD00031713 InChI Key: OOACLPDZHDFCQP-UHFFFAOYSA-L Synonym: 2-butene-1,4-bis triphenylphosphonium chloride,trans-2-butene-1,4-bis triphenylphosphoniumchloride,but-2-ene-1,4-diyl bis triphenylphosphanium dichloride PubChem CID: 70700154 IUPAC Name: triphenyl(4-triphenylphosphaniumylbut-2-enyl)phosphanium;dichloride SMILES: C1=CC=C(C=C1)[P+](CC=CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-].[Cl-]
| PubChem CID | 70700154 |
|---|---|
| CAS | 106423-29-4 |
| Molecular Weight (g/mol) | 649.576 |
| MDL Number | MFCD00031713 |
| SMILES | C1=CC=C(C=C1)[P+](CC=CC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Cl-].[Cl-] |
| Synonym | 2-butene-1,4-bis triphenylphosphonium chloride,trans-2-butene-1,4-bis triphenylphosphoniumchloride,but-2-ene-1,4-diyl bis triphenylphosphanium dichloride |
| IUPAC Name | triphenyl(4-triphenylphosphaniumylbut-2-enyl)phosphanium;dichloride |
| InChI Key | OOACLPDZHDFCQP-UHFFFAOYSA-L |
| Molecular Formula | C40H36Cl2P2 |
2-Methoxybiphenyl 98.0+%, TCI America™
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CAS: 86-26-0 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.24 MDL Number: MFCD00008367 InChI Key: NLWCWEGVNJVLAX-UHFFFAOYSA-N Synonym: 2-methoxybiphenyl,2-phenylanisole,1,1'-biphenyl, 2-methoxy,o-phenylanisole,anisole, o-phenyl,methyl diphenyl ether,o-phenyl anisole,biphenyl-2-yl methyl ether,2-methoxy-1,1'-biphenyl,2-methoxy-biphenylate PubChem CID: 6835 IUPAC Name: 2-methoxy-1,1'-biphenyl SMILES: COC1=CC=CC=C1C1=CC=CC=C1
| PubChem CID | 6835 |
|---|---|
| CAS | 86-26-0 |
| Molecular Weight (g/mol) | 184.24 |
| MDL Number | MFCD00008367 |
| SMILES | COC1=CC=CC=C1C1=CC=CC=C1 |
| Synonym | 2-methoxybiphenyl,2-phenylanisole,1,1'-biphenyl, 2-methoxy,o-phenylanisole,anisole, o-phenyl,methyl diphenyl ether,o-phenyl anisole,biphenyl-2-yl methyl ether,2-methoxy-1,1'-biphenyl,2-methoxy-biphenylate |
| IUPAC Name | 2-methoxy-1,1'-biphenyl |
| InChI Key | NLWCWEGVNJVLAX-UHFFFAOYSA-N |
| Molecular Formula | C13H12O |
2-(2-Fluorophenyl)ethanol 95.0+%, TCI America™
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CAS: 50919-06-7 Molecular Formula: C8H9FO Molecular Weight (g/mol): 140.16 MDL Number: MFCD00002887 InChI Key: HNIGZVZDWCTFPR-UHFFFAOYSA-N Synonym: 2-fluorophenethyl alcohol,2-2-fluorophenyl ethanol,2-2-fluorophenyl ethan-1-ol,benzeneethanol, 2-fluoro,2-fluorophenethylalcohol,2-2-fluoro-phenyl-ethanol,2-fluorobenzeneethanol,acmc-1axdv,o-fluorophenethyl alcohol,2-fluorophenylethyl alcohol PubChem CID: 2733296 IUPAC Name: 2-(2-fluorophenyl)ethan-1-ol SMILES: OCCC1=CC=CC=C1F
| PubChem CID | 2733296 |
|---|---|
| CAS | 50919-06-7 |
| Molecular Weight (g/mol) | 140.16 |
| MDL Number | MFCD00002887 |
| SMILES | OCCC1=CC=CC=C1F |
| Synonym | 2-fluorophenethyl alcohol,2-2-fluorophenyl ethanol,2-2-fluorophenyl ethan-1-ol,benzeneethanol, 2-fluoro,2-fluorophenethylalcohol,2-2-fluoro-phenyl-ethanol,2-fluorobenzeneethanol,acmc-1axdv,o-fluorophenethyl alcohol,2-fluorophenylethyl alcohol |
| IUPAC Name | 2-(2-fluorophenyl)ethan-1-ol |
| InChI Key | HNIGZVZDWCTFPR-UHFFFAOYSA-N |
| Molecular Formula | C8H9FO |
p-Toluenesulfonanilide 98.0+%, TCI America™
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CAS: 68-34-8 Molecular Formula: C13H13NO2S Molecular Weight (g/mol): 247.312 MDL Number: MFCD00025989 InChI Key: VLVCWODDMDGANW-UHFFFAOYSA-N Synonym: p-toluenesulfonanilide,n-tosylaniline,benzenesulfonamide, 4-methyl-n-phenyl,n-phenyl-p-toluenesulfonamide,4-methylphenyl sulfonyl phenylamine,p-toluene sulfonanilide,n-phenyl p-toluenesulfonamide,4-methyl-n-phenyl-benzenesulfonamide,n-4-methylphenyl sulfonyl aniline,4-methyl-n-phenylbenzene-1-sulfonamide PubChem CID: 2456 IUPAC Name: 4-methyl-N-phenylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2
| PubChem CID | 2456 |
|---|---|
| CAS | 68-34-8 |
| Molecular Weight (g/mol) | 247.312 |
| MDL Number | MFCD00025989 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2 |
| Synonym | p-toluenesulfonanilide,n-tosylaniline,benzenesulfonamide, 4-methyl-n-phenyl,n-phenyl-p-toluenesulfonamide,4-methylphenyl sulfonyl phenylamine,p-toluene sulfonanilide,n-phenyl p-toluenesulfonamide,4-methyl-n-phenyl-benzenesulfonamide,n-4-methylphenyl sulfonyl aniline,4-methyl-n-phenylbenzene-1-sulfonamide |
| IUPAC Name | 4-methyl-N-phenylbenzenesulfonamide |
| InChI Key | VLVCWODDMDGANW-UHFFFAOYSA-N |
| Molecular Formula | C13H13NO2S |
Benzaldehyde Phenylhydrazone 98.0+%, TCI America™
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CAS: 588-64-7 Molecular Formula: C13H12N2 Molecular Weight (g/mol): 196.253 MDL Number: MFCD00051318 InChI Key: JGOAZQAXRONCCI-SDNWHVSQSA-N PubChem CID: 6436752 IUPAC Name: N-[(E)-benzylideneamino]aniline SMILES: C1=CC=C(C=C1)C=NNC2=CC=CC=C2
| PubChem CID | 6436752 |
|---|---|
| CAS | 588-64-7 |
| Molecular Weight (g/mol) | 196.253 |
| MDL Number | MFCD00051318 |
| SMILES | C1=CC=C(C=C1)C=NNC2=CC=CC=C2 |
| IUPAC Name | N-[(E)-benzylideneamino]aniline |
| InChI Key | JGOAZQAXRONCCI-SDNWHVSQSA-N |
| Molecular Formula | C13H12N2 |
2,3-Difluorophenol 98.0+%, TCI America™
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CAS: 6418-38-8 Molecular Formula: C6H4F2O Molecular Weight (g/mol): 130.094 MDL Number: MFCD00010262 InChI Key: RPEPGIOVXBBUMJ-UHFFFAOYSA-N Synonym: phenol, 2,3-difluoro,phenol, difluoro,2,3-difluoro phenol,difluorophenol,difluoro-phenol,2.3-difluorophenol,2,3-difluoro-phenol,pubchem1494,acmc-1b6pt,2,3-bis fluoranyl phenol PubChem CID: 80879 IUPAC Name: 2,3-difluorophenol SMILES: C1=CC(=C(C(=C1)F)F)O
| PubChem CID | 80879 |
|---|---|
| CAS | 6418-38-8 |
| Molecular Weight (g/mol) | 130.094 |
| MDL Number | MFCD00010262 |
| SMILES | C1=CC(=C(C(=C1)F)F)O |
| Synonym | phenol, 2,3-difluoro,phenol, difluoro,2,3-difluoro phenol,difluorophenol,difluoro-phenol,2.3-difluorophenol,2,3-difluoro-phenol,pubchem1494,acmc-1b6pt,2,3-bis fluoranyl phenol |
| IUPAC Name | 2,3-difluorophenol |
| InChI Key | RPEPGIOVXBBUMJ-UHFFFAOYSA-N |
| Molecular Formula | C6H4F2O |
4-(Aminomethyl)benzoic Acid 97.0+%, TCI America™
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CAS: 56-91-7 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00010203 InChI Key: QCTBMLYLENLHLA-UHFFFAOYSA-N Synonym: 4-aminomethyl benzoic acid,4-carboxybenzylamine,pamba,styptopur,gumbix,p-aminomethylbenzoic acid,aminomethylbenzoic acid,benzoic acid, 4-aminomethyl,benzylamine-4-carboxylic acid,alpha-amino-p-toluic acid PubChem CID: 65526 IUPAC Name: 4-(aminomethyl)benzoic acid SMILES: C1=CC(=CC=C1CN)C(=O)O
| PubChem CID | 65526 |
|---|---|
| CAS | 56-91-7 |
| Molecular Weight (g/mol) | 151.165 |
| MDL Number | MFCD00010203 |
| SMILES | C1=CC(=CC=C1CN)C(=O)O |
| Synonym | 4-aminomethyl benzoic acid,4-carboxybenzylamine,pamba,styptopur,gumbix,p-aminomethylbenzoic acid,aminomethylbenzoic acid,benzoic acid, 4-aminomethyl,benzylamine-4-carboxylic acid,alpha-amino-p-toluic acid |
| IUPAC Name | 4-(aminomethyl)benzoic acid |
| InChI Key | QCTBMLYLENLHLA-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |
Ethyl 3-Chlorobenzoate 94.0+%, TCI America™
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CAS: 1128-76-3 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00013634 InChI Key: LVFRSNCBCHABAM-UHFFFAOYSA-N Synonym: benzoic acid, 3-chloro-, ethyl ester,3-chlorobenzoic acid ethyl ester,ethyl m-chlorobenzoate,benzoic acid, m-chloro-, ethyl ester,3-chloro-benzoic acid ethyl ester,pubchem3704,acmc-1bt4u,ethyl3-chlorobenzoate,ksc495m6f,rarechem al bi 0056 PubChem CID: 70785 IUPAC Name: ethyl 3-chlorobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)Cl
| PubChem CID | 70785 |
|---|---|
| CAS | 1128-76-3 |
| Molecular Weight (g/mol) | 184.619 |
| MDL Number | MFCD00013634 |
| SMILES | CCOC(=O)C1=CC(=CC=C1)Cl |
| Synonym | benzoic acid, 3-chloro-, ethyl ester,3-chlorobenzoic acid ethyl ester,ethyl m-chlorobenzoate,benzoic acid, m-chloro-, ethyl ester,3-chloro-benzoic acid ethyl ester,pubchem3704,acmc-1bt4u,ethyl3-chlorobenzoate,ksc495m6f,rarechem al bi 0056 |
| IUPAC Name | ethyl 3-chlorobenzoate |
| InChI Key | LVFRSNCBCHABAM-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO2 |
2,7-Dinitrofluorene 97.0+%, TCI America™
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CAS: 5405-53-8 Molecular Formula: C13H8N2O4 Molecular Weight (g/mol): 256.217 MDL Number: MFCD00001121 InChI Key: IHZCVUBSTYOFSJ-UHFFFAOYSA-N PubChem CID: 21502 IUPAC Name: 2,7-dinitro-9H-fluorene SMILES: C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)[N+](=O)[O-]
| PubChem CID | 21502 |
|---|---|
| CAS | 5405-53-8 |
| Molecular Weight (g/mol) | 256.217 |
| MDL Number | MFCD00001121 |
| SMILES | C1C2=C(C=CC(=C2)[N+](=O)[O-])C3=C1C=C(C=C3)[N+](=O)[O-] |
| IUPAC Name | 2,7-dinitro-9H-fluorene |
| InChI Key | IHZCVUBSTYOFSJ-UHFFFAOYSA-N |
| Molecular Formula | C13H8N2O4 |
1-Naphthoic Acid 98.0+%, TCI America™
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3-Fluorobenzotrifluoride 98.0+%, TCI America™
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CAS: 401-80-9 Molecular Formula: C7H4F4 Molecular Weight (g/mol): 164.10 MDL Number: MFCD00000382 InChI Key: GBOWGKOVMBDPJF-UHFFFAOYSA-N Synonym: 3-fluorobenzotrifluoride,m-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl benzene,alpha,alpha,alpha,3-tetrafluorotoluene,benzene, 1-fluoro-3-trifluoromethyl,trifluoromethyl-3-fluorobenzene,a,a,a,3-tetrafluorotoluene,1-trifluoromethyl-3-fluorobenzene,1-fluoro-3-trifluoro-methyl benzene,3-trifluoromethyl fluorobenzene PubChem CID: 67867 IUPAC Name: 1-fluoro-3-(trifluoromethyl)benzene SMILES: FC1=CC=CC(=C1)C(F)(F)F
| PubChem CID | 67867 |
|---|---|
| CAS | 401-80-9 |
| Molecular Weight (g/mol) | 164.10 |
| MDL Number | MFCD00000382 |
| SMILES | FC1=CC=CC(=C1)C(F)(F)F |
| Synonym | 3-fluorobenzotrifluoride,m-fluorobenzotrifluoride,1-fluoro-3-trifluoromethyl benzene,alpha,alpha,alpha,3-tetrafluorotoluene,benzene, 1-fluoro-3-trifluoromethyl,trifluoromethyl-3-fluorobenzene,a,a,a,3-tetrafluorotoluene,1-trifluoromethyl-3-fluorobenzene,1-fluoro-3-trifluoro-methyl benzene,3-trifluoromethyl fluorobenzene |
| IUPAC Name | 1-fluoro-3-(trifluoromethyl)benzene |
| InChI Key | GBOWGKOVMBDPJF-UHFFFAOYSA-N |
| Molecular Formula | C7H4F4 |
4-Bromo-4'-chlorobenzophenone 98.0+%, TCI America™
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CAS: 27428-57-5 Molecular Formula: C13H8BrClO Molecular Weight (g/mol): 295.56 MDL Number: MFCD00045208 InChI Key: FYMCXGILCMIOKD-UHFFFAOYSA-N PubChem CID: 2756868 IUPAC Name: (4-bromophenyl)(4-chlorophenyl)methanone SMILES: ClC1=CC=C(C=C1)C(=O)C1=CC=C(Br)C=C1
| PubChem CID | 2756868 |
|---|---|
| CAS | 27428-57-5 |
| Molecular Weight (g/mol) | 295.56 |
| MDL Number | MFCD00045208 |
| SMILES | ClC1=CC=C(C=C1)C(=O)C1=CC=C(Br)C=C1 |
| IUPAC Name | (4-bromophenyl)(4-chlorophenyl)methanone |
| InChI Key | FYMCXGILCMIOKD-UHFFFAOYSA-N |
| Molecular Formula | C13H8BrClO |
3-(Hydroxymethyl)biphenyl 96.0+%, TCI America™
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CAS: 69605-90-9 Molecular Formula: C13H12O Molecular Weight (g/mol): 184.24 MDL Number: MFCD08703631 InChI Key: WGUZZTGZDPJWSG-UHFFFAOYSA-N Synonym: Biphenyl-3-methanol, 3-Phenylbenzyl Alcohol PubChem CID: 603556 IUPAC Name: {[1,1'-biphenyl]-3-yl}methanol SMILES: OCC1=CC=CC(=C1)C1=CC=CC=C1
| PubChem CID | 603556 |
|---|---|
| CAS | 69605-90-9 |
| Molecular Weight (g/mol) | 184.24 |
| MDL Number | MFCD08703631 |
| SMILES | OCC1=CC=CC(=C1)C1=CC=CC=C1 |
| Synonym | Biphenyl-3-methanol, 3-Phenylbenzyl Alcohol |
| IUPAC Name | {[1,1'-biphenyl]-3-yl}methanol |
| InChI Key | WGUZZTGZDPJWSG-UHFFFAOYSA-N |
| Molecular Formula | C13H12O |
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 |