Benzenoids
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1,3-Difluoro-5-propylbenzene 98.0+%, TCI America™
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CAS: 183245-00-3 Molecular Formula: C9H10F2 Molecular Weight (g/mol): 156.18 MDL Number: MFCD12405568 InChI Key: AXTNQJKYTXEYRM-UHFFFAOYSA-N PubChem CID: 18979661 IUPAC Name: 1,3-difluoro-5-propylbenzene SMILES: CCCC1=CC(F)=CC(F)=C1
| PubChem CID | 18979661 |
|---|---|
| CAS | 183245-00-3 |
| Molecular Weight (g/mol) | 156.18 |
| MDL Number | MFCD12405568 |
| SMILES | CCCC1=CC(F)=CC(F)=C1 |
| IUPAC Name | 1,3-difluoro-5-propylbenzene |
| InChI Key | AXTNQJKYTXEYRM-UHFFFAOYSA-N |
| Molecular Formula | C9H10F2 |
2,6-Dimethyl-4-nitrophenol 98.0+%, TCI America™
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CAS: 2423-71-4 Molecular Formula: C8H9NO3 Molecular Weight (g/mol): 167.164 MDL Number: MFCD00007339 InChI Key: FNORUNUDZNWQFF-UHFFFAOYSA-N Synonym: 4-nitro-2,6-xylenol,2,6-xylenol, 4-nitro,4-nitro-2,6-dimethylphenol,phenol, 2,6-dimethyl-4-nitro,phenol,2,6-dimethyl-4-nitro,acmc-1cljn,2, 4-nitro,intermediates-zcf02651,2,6-dimethyl4-nitrophenol,phenol,6-dimethyl-4-nitro PubChem CID: 17030 IUPAC Name: 2,6-dimethyl-4-nitrophenol SMILES: CC1=CC(=CC(=C1O)C)[N+](=O)[O-]
| PubChem CID | 17030 |
|---|---|
| CAS | 2423-71-4 |
| Molecular Weight (g/mol) | 167.164 |
| MDL Number | MFCD00007339 |
| SMILES | CC1=CC(=CC(=C1O)C)[N+](=O)[O-] |
| Synonym | 4-nitro-2,6-xylenol,2,6-xylenol, 4-nitro,4-nitro-2,6-dimethylphenol,phenol, 2,6-dimethyl-4-nitro,phenol,2,6-dimethyl-4-nitro,acmc-1cljn,2, 4-nitro,intermediates-zcf02651,2,6-dimethyl4-nitrophenol,phenol,6-dimethyl-4-nitro |
| IUPAC Name | 2,6-dimethyl-4-nitrophenol |
| InChI Key | FNORUNUDZNWQFF-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO3 |
2-Bromo-4,6-difluorophenol 98.0+%, TCI America™
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CAS: 98130-56-4 Molecular Formula: C6H3BrF2O Molecular Weight (g/mol): 208.99 MDL Number: MFCD00070752 InChI Key: YDRZYJATKMBSJX-UHFFFAOYSA-N Synonym: 2-bromo-4,6-difluoro-phenol,buttpark 20\04-78,phenol, 2-bromo-4,6-difluoro,pubchem2836,acmc-209s9n,2-bromo-4,6-difluorophenol,2-bromanyl-4,6-bis fluoranyl phenol,2-bromo-4,6-difluorophenol, 98+% PubChem CID: 2736290 IUPAC Name: 2-bromo-4,6-difluorophenol SMILES: C1=C(C=C(C(=C1F)O)Br)F
| PubChem CID | 2736290 |
|---|---|
| CAS | 98130-56-4 |
| Molecular Weight (g/mol) | 208.99 |
| MDL Number | MFCD00070752 |
| SMILES | C1=C(C=C(C(=C1F)O)Br)F |
| Synonym | 2-bromo-4,6-difluoro-phenol,buttpark 20\04-78,phenol, 2-bromo-4,6-difluoro,pubchem2836,acmc-209s9n,2-bromo-4,6-difluorophenol,2-bromanyl-4,6-bis fluoranyl phenol,2-bromo-4,6-difluorophenol, 98+% |
| IUPAC Name | 2-bromo-4,6-difluorophenol |
| InChI Key | YDRZYJATKMBSJX-UHFFFAOYSA-N |
| Molecular Formula | C6H3BrF2O |
4-Bromo-3-fluorobenzyl Alcohol 98.0+%, TCI America™
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CAS: 222978-01-0 Molecular Formula: C7H6BrFO Molecular Weight (g/mol): 205.026 MDL Number: MFCD08236860 InChI Key: VQDUFYPJCUBGQW-UHFFFAOYSA-N Synonym: 4-bromo-3-fluorophenyl methanol,4-bromo-3-fluorobenzyl alcohol,4-bromo-3-fluorobenzenemethanol,benzenemethanol, 4-bromo-3-fluoro,4-bromo-3-fluoro-phenyl-methanol,benzenemethanol,4-bromo-3-fluoro,acmc-1cr86,ksc549c4b,3-fluoro-4-bromo benzylalcohol,3-fluoro-4-bromobenzyl alcohol PubChem CID: 20682297 IUPAC Name: (4-bromo-3-fluorophenyl)methanol SMILES: C1=CC(=C(C=C1CO)F)Br
| PubChem CID | 20682297 |
|---|---|
| CAS | 222978-01-0 |
| Molecular Weight (g/mol) | 205.026 |
| MDL Number | MFCD08236860 |
| SMILES | C1=CC(=C(C=C1CO)F)Br |
| Synonym | 4-bromo-3-fluorophenyl methanol,4-bromo-3-fluorobenzyl alcohol,4-bromo-3-fluorobenzenemethanol,benzenemethanol, 4-bromo-3-fluoro,4-bromo-3-fluoro-phenyl-methanol,benzenemethanol,4-bromo-3-fluoro,acmc-1cr86,ksc549c4b,3-fluoro-4-bromo benzylalcohol,3-fluoro-4-bromobenzyl alcohol |
| IUPAC Name | (4-bromo-3-fluorophenyl)methanol |
| InChI Key | VQDUFYPJCUBGQW-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrFO |
N,4-Dimethoxy-N-methylbenzamide 95.0+%, TCI America™
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CAS: 52898-49-4 Molecular Formula: C10H13NO3 Molecular Weight (g/mol): 195.218 MDL Number: MFCD02684314 InChI Key: FIRHLPVYIMMZPV-UHFFFAOYSA-N PubChem CID: 15105748 IUPAC Name: N,4-dimethoxy-N-methylbenzamide SMILES: CN(C(=O)C1=CC=C(C=C1)OC)OC
| PubChem CID | 15105748 |
|---|---|
| CAS | 52898-49-4 |
| Molecular Weight (g/mol) | 195.218 |
| MDL Number | MFCD02684314 |
| SMILES | CN(C(=O)C1=CC=C(C=C1)OC)OC |
| IUPAC Name | N,4-dimethoxy-N-methylbenzamide |
| InChI Key | FIRHLPVYIMMZPV-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO3 |
5-Aminosalicylic Acid 98.0+%, TCI America™
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CAS: 89-57-6 Molecular Formula: C7H7NO3 Molecular Weight (g/mol): 153.137 MDL Number: MFCD00007877 InChI Key: KBOPZPXVLCULAV-UHFFFAOYSA-N Synonym: 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa PubChem CID: 4075 ChEBI: CHEBI:6775 IUPAC Name: 5-amino-2-hydroxybenzoic acid SMILES: C1=CC(=C(C=C1N)C(=O)O)O
| PubChem CID | 4075 |
|---|---|
| CAS | 89-57-6 |
| Molecular Weight (g/mol) | 153.137 |
| ChEBI | CHEBI:6775 |
| MDL Number | MFCD00007877 |
| SMILES | C1=CC(=C(C=C1N)C(=O)O)O |
| Synonym | 5-aminosalicylic acid,mesalazine,mesalamine,pentasa,claversal,asacol,canasa,salofalk,rowasa,5-asa |
| IUPAC Name | 5-amino-2-hydroxybenzoic acid |
| InChI Key | KBOPZPXVLCULAV-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO3 |
1-Methyl-3-phenylthiourea 97.0+%, TCI America™
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CAS: 2724-69-8 Molecular Formula: C8H10N2S Molecular Weight (g/mol): 166.242 MDL Number: MFCD00022130 InChI Key: IGEQFPWPMCIYDF-UHFFFAOYSA-N PubChem CID: 698294 IUPAC Name: 1-methyl-3-phenylthiourea SMILES: CNC(=S)NC1=CC=CC=C1
| PubChem CID | 698294 |
|---|---|
| CAS | 2724-69-8 |
| Molecular Weight (g/mol) | 166.242 |
| MDL Number | MFCD00022130 |
| SMILES | CNC(=S)NC1=CC=CC=C1 |
| IUPAC Name | 1-methyl-3-phenylthiourea |
| InChI Key | IGEQFPWPMCIYDF-UHFFFAOYSA-N |
| Molecular Formula | C8H10N2S |
[(4-Methoxyphenyl)ethynyl]trimethylsilane 97.0+%, TCI America™
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CAS: 3989-14-8 Molecular Formula: C12H16OSi Molecular Weight (g/mol): 204.34 MDL Number: MFCD04039887 InChI Key: GODVAYLZXZQBFP-UHFFFAOYSA-N PubChem CID: 3497861 IUPAC Name: [2-(4-methoxyphenyl)ethynyl]trimethylsilane SMILES: COC1=CC=C(C=C1)C#C[Si](C)(C)C
| PubChem CID | 3497861 |
|---|---|
| CAS | 3989-14-8 |
| Molecular Weight (g/mol) | 204.34 |
| MDL Number | MFCD04039887 |
| SMILES | COC1=CC=C(C=C1)C#C[Si](C)(C)C |
| IUPAC Name | [2-(4-methoxyphenyl)ethynyl]trimethylsilane |
| InChI Key | GODVAYLZXZQBFP-UHFFFAOYSA-N |
| Molecular Formula | C12H16OSi |
4-Styrylpyridine 98.0+%, TCI America™
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CAS: 103-31-1 Molecular Formula: C13H11N Molecular Weight (g/mol): 181.24 MDL Number: MFCD00137749 InChI Key: QKHRGPYNTXRMSL-VOTSOKGWSA-N Synonym: 4-Stilbazole PubChem CID: 641098 IUPAC Name: 4-[(1E)-2-phenylethenyl]pyridine SMILES: C(=C/C1=CC=NC=C1)\C1=CC=CC=C1
| PubChem CID | 641098 |
|---|---|
| CAS | 103-31-1 |
| Molecular Weight (g/mol) | 181.24 |
| MDL Number | MFCD00137749 |
| SMILES | C(=C/C1=CC=NC=C1)\C1=CC=CC=C1 |
| Synonym | 4-Stilbazole |
| IUPAC Name | 4-[(1E)-2-phenylethenyl]pyridine |
| InChI Key | QKHRGPYNTXRMSL-VOTSOKGWSA-N |
| Molecular Formula | C13H11N |
2,4-Dichloro-3,5-dimethylphenol 98.0+%, TCI America™
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CAS: 133-53-9 Molecular Formula: C8H8Cl2O Molecular Weight (g/mol): 191.051 MDL Number: MFCD00019981 InChI Key: IYOLBFFHPZOQGW-UHFFFAOYSA-N Synonym: dichloroxylenol,dcmx,ottacide,decasept,hewsol,prinsyl,dixol,2,4-dichloro-3,5-xylenol,3,5-dimethyl-2,4-dichlorophenol,unii-51ac49olt7 PubChem CID: 8621 IUPAC Name: 2,4-dichloro-3,5-dimethylphenol SMILES: CC1=CC(=C(C(=C1Cl)C)Cl)O
| PubChem CID | 8621 |
|---|---|
| CAS | 133-53-9 |
| Molecular Weight (g/mol) | 191.051 |
| MDL Number | MFCD00019981 |
| SMILES | CC1=CC(=C(C(=C1Cl)C)Cl)O |
| Synonym | dichloroxylenol,dcmx,ottacide,decasept,hewsol,prinsyl,dixol,2,4-dichloro-3,5-xylenol,3,5-dimethyl-2,4-dichlorophenol,unii-51ac49olt7 |
| IUPAC Name | 2,4-dichloro-3,5-dimethylphenol |
| InChI Key | IYOLBFFHPZOQGW-UHFFFAOYSA-N |
| Molecular Formula | C8H8Cl2O |
4-(Trifluoromethylthio)benzoyl Chloride 98.0+%, TCI America™
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CAS: 330-14-3 Molecular Formula: C8H4ClF3OS Molecular Weight (g/mol): 240.624 MDL Number: MFCD01631632 InChI Key: BCMFTOCCLOAGBP-UHFFFAOYSA-N Synonym: 4-trifluoromethylthio benzoyl chloride,4-trifluoromethyl thio benzoyl chloride,4-trifluoromethylsulfanyl benzoyl chloride,4-trifluoromethyl sulfanyl benzoyl chloride,4-trifluomethylthio benzoyl chloride,benzoyl chloride, 4-trifluoromethyl thio,4-trifluoromethyl sulphanyl benzoyl chloride,4-trifluoromethylsulfanyl-benzoyl chloride,acmc-209hxt,4-trifluoromethylthiobenzoylchloride PubChem CID: 2777865 IUPAC Name: 4-(trifluoromethylsulfanyl)benzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)SC(F)(F)F
| PubChem CID | 2777865 |
|---|---|
| CAS | 330-14-3 |
| Molecular Weight (g/mol) | 240.624 |
| MDL Number | MFCD01631632 |
| SMILES | C1=CC(=CC=C1C(=O)Cl)SC(F)(F)F |
| Synonym | 4-trifluoromethylthio benzoyl chloride,4-trifluoromethyl thio benzoyl chloride,4-trifluoromethylsulfanyl benzoyl chloride,4-trifluoromethyl sulfanyl benzoyl chloride,4-trifluomethylthio benzoyl chloride,benzoyl chloride, 4-trifluoromethyl thio,4-trifluoromethyl sulphanyl benzoyl chloride,4-trifluoromethylsulfanyl-benzoyl chloride,acmc-209hxt,4-trifluoromethylthiobenzoylchloride |
| IUPAC Name | 4-(trifluoromethylsulfanyl)benzoyl chloride |
| InChI Key | BCMFTOCCLOAGBP-UHFFFAOYSA-N |
| Molecular Formula | C8H4ClF3OS |
Carbonyl(dihydrido)tris(triphenylphosphine)ruthenium(II), TCI America™
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CAS: 25360-32-1 Molecular Formula: C55H47OP3Ru Molecular Weight (g/mol): 917.97 MDL Number: MFCD00015870 MFCD00015870 InChI Key: MLIYPCQSOXNTLJ-UHFFFAOYSA-N PubChem CID: 53384314 IUPAC Name: methanidylidyneoxidanium tris(triphenylphosphane) λ²-ruthenium SMILES: [RuH2].[C-]#[O+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 53384314 |
|---|---|
| CAS | 25360-32-1 |
| Molecular Weight (g/mol) | 917.97 |
| MDL Number | MFCD00015870 MFCD00015870 |
| SMILES | [RuH2].[C-]#[O+].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | methanidylidyneoxidanium tris(triphenylphosphane) λ²-ruthenium |
| InChI Key | MLIYPCQSOXNTLJ-UHFFFAOYSA-N |
| Molecular Formula | C55H47OP3Ru |
2-Hydroxyphenylacetic Acid 98.0+%, TCI America™
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CAS: 614-75-5 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00004323 InChI Key: CCVYRRGZDBSHFU-UHFFFAOYSA-N Synonym: 2-hydroxyphenylacetic acid,2-2-hydroxyphenyl acetic acid,2-hydroxyphenyl acetic acid,benzeneacetic acid, 2-hydroxy,2-hydroxybenzeneacetic acid,o-hydroxyphenylacetic acid,acetic acid, o-hydroxyphenyl,2-hydroxyphenylacetate,o-hydroxyphenyl acetic acid,ortho-hydroxyphenylacetic acid PubChem CID: 11970 ChEBI: CHEBI:28478 IUPAC Name: 2-(2-hydroxyphenyl)acetic acid SMILES: C1=CC=C(C(=C1)CC(=O)O)O
| PubChem CID | 11970 |
|---|---|
| CAS | 614-75-5 |
| Molecular Weight (g/mol) | 152.149 |
| ChEBI | CHEBI:28478 |
| MDL Number | MFCD00004323 |
| SMILES | C1=CC=C(C(=C1)CC(=O)O)O |
| Synonym | 2-hydroxyphenylacetic acid,2-2-hydroxyphenyl acetic acid,2-hydroxyphenyl acetic acid,benzeneacetic acid, 2-hydroxy,2-hydroxybenzeneacetic acid,o-hydroxyphenylacetic acid,acetic acid, o-hydroxyphenyl,2-hydroxyphenylacetate,o-hydroxyphenyl acetic acid,ortho-hydroxyphenylacetic acid |
| IUPAC Name | 2-(2-hydroxyphenyl)acetic acid |
| InChI Key | CCVYRRGZDBSHFU-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
1-Fluoro-3-(trifluoromethoxy)benzene 98.0+%, TCI America™
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CAS: 1077-01-6 Molecular Formula: C7H4F4O Molecular Weight (g/mol): 180.102 MDL Number: MFCD00236323 InChI Key: AUKDFDQPJWJEDH-UHFFFAOYSA-N PubChem CID: 2777286 IUPAC Name: 1-fluoro-3-(trifluoromethoxy)benzene SMILES: C1=CC(=CC(=C1)F)OC(F)(F)F
| PubChem CID | 2777286 |
|---|---|
| CAS | 1077-01-6 |
| Molecular Weight (g/mol) | 180.102 |
| MDL Number | MFCD00236323 |
| SMILES | C1=CC(=CC(=C1)F)OC(F)(F)F |
| IUPAC Name | 1-fluoro-3-(trifluoromethoxy)benzene |
| InChI Key | AUKDFDQPJWJEDH-UHFFFAOYSA-N |
| Molecular Formula | C7H4F4O |
Diphenyliodonium Hexafluorophosphate 97.0+%, TCI America™
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CAS: 58109-40-3 Molecular Formula: C12H10I Molecular Weight (g/mol): 281.12 MDL Number: MFCD00061398 InChI Key: OZLBDYMWFAHSOQ-UHFFFAOYSA-N Synonym: diphenyliodonium hexafluorophosphate,diphenyliodanium hexafluorophosphate,diphenyliodonium hexafluorophosphate v,iodonium, diphenyl-, hexafluorophosphate 1-,iodonium, diphenyl-, hexafluorophosphate 1-1:1,diphenyliodonium pf6,dpihfp,acmc-209m2o,phi + pf6-,diphenyliodanium; hexafluoro-$l^ 5-phosphanuide PubChem CID: 2737136 IUPAC Name: diphenyliodanium SMILES: [I+](C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2737136 |
|---|---|
| CAS | 58109-40-3 |
| Molecular Weight (g/mol) | 281.12 |
| MDL Number | MFCD00061398 |
| SMILES | [I+](C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | diphenyliodonium hexafluorophosphate,diphenyliodanium hexafluorophosphate,diphenyliodonium hexafluorophosphate v,iodonium, diphenyl-, hexafluorophosphate 1-,iodonium, diphenyl-, hexafluorophosphate 1-1:1,diphenyliodonium pf6,dpihfp,acmc-209m2o,phi + pf6-,diphenyliodanium; hexafluoro-$l^ 5-phosphanuide |
| IUPAC Name | diphenyliodanium |
| InChI Key | OZLBDYMWFAHSOQ-UHFFFAOYSA-N |
| Molecular Formula | C12H10I |