Benzenoids
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4-Fluoroaniline, 99%
CAS: 371-40-4 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.12 MDL Number: MFCD00007829 InChI Key: KRZCOLNOCZKSDF-UHFFFAOYSA-N Synonym: p-fluoroaniline,benzenamine, 4-fluoro,1-amino-4-fluorobenzene,4-fluorobenzenamine,p-fluorophenylamine,4-fluoronaniline,aniline, p-fluoro,aniline, 4-fluoro,4-fluoranilin,para-fluoroaniline PubChem CID: 9731 ChEBI: CHEBI:28546 IUPAC Name: 4-fluoroaniline SMILES: NC1=CC=C(F)C=C1
| PubChem CID | 9731 |
|---|---|
| CAS | 371-40-4 |
| Molecular Weight (g/mol) | 111.12 |
| ChEBI | CHEBI:28546 |
| MDL Number | MFCD00007829 |
| SMILES | NC1=CC=C(F)C=C1 |
| Synonym | p-fluoroaniline,benzenamine, 4-fluoro,1-amino-4-fluorobenzene,4-fluorobenzenamine,p-fluorophenylamine,4-fluoronaniline,aniline, p-fluoro,aniline, 4-fluoro,4-fluoranilin,para-fluoroaniline |
| IUPAC Name | 4-fluoroaniline |
| InChI Key | KRZCOLNOCZKSDF-UHFFFAOYSA-N |
| Molecular Formula | C6H6FN |
4-Isopropylaniline, 99%
CAS: 99-88-7 Molecular Formula: C9H13N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00007900 InChI Key: LRTFPLFDLJYEKT-UHFFFAOYSA-N Synonym: 4-isopropylaniline,cumidine,4-aminocumene,p-isopropylaniline,p-cumidine,4-propan-2-yl aniline,para-isopropylaniline,4-amino-1-isopropylbenzene,cumene, p-amino,aniline, p-isopropyl PubChem CID: 7464 ChEBI: CHEBI:43405 IUPAC Name: 4-propan-2-ylaniline SMILES: CC(C)C1=CC=C(C=C1)N
| PubChem CID | 7464 |
|---|---|
| CAS | 99-88-7 |
| Molecular Weight (g/mol) | 135.21 |
| ChEBI | CHEBI:43405 |
| MDL Number | MFCD00007900 |
| SMILES | CC(C)C1=CC=C(C=C1)N |
| Synonym | 4-isopropylaniline,cumidine,4-aminocumene,p-isopropylaniline,p-cumidine,4-propan-2-yl aniline,para-isopropylaniline,4-amino-1-isopropylbenzene,cumene, p-amino,aniline, p-isopropyl |
| IUPAC Name | 4-propan-2-ylaniline |
| InChI Key | LRTFPLFDLJYEKT-UHFFFAOYSA-N |
| Molecular Formula | C9H13N |
2-tert-Butylaniline, 98%
CAS: 6310-21-0 Molecular Formula: C10H15N Molecular Weight (g/mol): 149.24 MDL Number: MFCD00130023 InChI Key: AEIOZWYBDBVCGW-UHFFFAOYSA-N Synonym: 2-tert-butyl aniline,2-tert-butylphenylamine,benzenamine, 2-1,1-dimethylethyl,2-t-butylaniline,2-tert-butyl-phenylamine,2-1,1-dimethylethyl benzenamine,2-tert-butyl phenylamine,pubchem20188,aniline, 2-tert-butyl PubChem CID: 80574 IUPAC Name: 2-tert-butylaniline SMILES: CC(C)(C)C1=CC=CC=C1N
| PubChem CID | 80574 |
|---|---|
| CAS | 6310-21-0 |
| Molecular Weight (g/mol) | 149.24 |
| MDL Number | MFCD00130023 |
| SMILES | CC(C)(C)C1=CC=CC=C1N |
| Synonym | 2-tert-butyl aniline,2-tert-butylphenylamine,benzenamine, 2-1,1-dimethylethyl,2-t-butylaniline,2-tert-butyl-phenylamine,2-1,1-dimethylethyl benzenamine,2-tert-butyl phenylamine,pubchem20188,aniline, 2-tert-butyl |
| IUPAC Name | 2-tert-butylaniline |
| InChI Key | AEIOZWYBDBVCGW-UHFFFAOYSA-N |
| Molecular Formula | C10H15N |
4-Mercaptophenylboronic Acid (contains varying amounts of Anhydride), TCI America™
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| Molecular Weight (g/mol) | 153.99 |
|---|---|
| Color | White-Yellow |
| Physical Form | Crystalline Powder |
| SMILES | B(C1=CC=C(C=C1)S)(O)O |
| InChI Key | AUVSUPMVIZXUOG-UHFFFAOYSA-N |
| PubChem CID | 4431894 |
| CAS | 237429-33-3 |
| MDL Number | MFCD03093887 |
| Synonym | 4-Mercaptobenzeneboronic Acid |
| TSCA | No |
| IUPAC Name | (4-sulfanylphenyl)boronic acid |
| Molecular Formula | C6H7BO2S |
| Formula Weight | 153.99 |
| Melting Point | 220°C |
2,3,4,5,6-Pentafluorobenzeneboronic acid, 97%
CAS: 1582-24-7 Molecular Formula: C6H2BF5O2 Molecular Weight (g/mol): 211.88 MDL Number: MFCD01074663 InChI Key: VASOMTXTRMYSKD-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorobenzeneboronic acid,pentafluorophenylboronic acid,perfluorophenylboronic acid,pentafluorobenzeneboronic acid,boronic acid, pentafluorophenyl,pentafluorophenyl boronic acid,2,3,4,5,6-pentafluorophenyl boronic acid,boronic acid, b-2,3,4,5,6-pentafluorophenyl,pubchem22760,rarechem ah pb 0049 PubChem CID: 2775922 IUPAC Name: (2,3,4,5,6-pentafluorophenyl)boronic acid SMILES: OB(O)C1=C(F)C(F)=C(F)C(F)=C1F
| PubChem CID | 2775922 |
|---|---|
| CAS | 1582-24-7 |
| Molecular Weight (g/mol) | 211.88 |
| MDL Number | MFCD01074663 |
| SMILES | OB(O)C1=C(F)C(F)=C(F)C(F)=C1F |
| Synonym | 2,3,4,5,6-pentafluorobenzeneboronic acid,pentafluorophenylboronic acid,perfluorophenylboronic acid,pentafluorobenzeneboronic acid,boronic acid, pentafluorophenyl,pentafluorophenyl boronic acid,2,3,4,5,6-pentafluorophenyl boronic acid,boronic acid, b-2,3,4,5,6-pentafluorophenyl,pubchem22760,rarechem ah pb 0049 |
| IUPAC Name | (2,3,4,5,6-pentafluorophenyl)boronic acid |
| InChI Key | VASOMTXTRMYSKD-UHFFFAOYSA-N |
| Molecular Formula | C6H2BF5O2 |
Anisole, 99%, Extra Dry, AcroSeal™
CAS: 100-66-3 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 InChI Key: RDOXTESZEPMUJZ-UHFFFAOYSA-N Synonym: methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene PubChem CID: 7519 ChEBI: CHEBI:16579 IUPAC Name: anisole SMILES: COC1=CC=CC=C1
| PubChem CID | 7519 |
|---|---|
| CAS | 100-66-3 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:16579 |
| SMILES | COC1=CC=CC=C1 |
| Synonym | methoxybenzene,methyl phenyl ether,benzene, methoxy,anisol,phenyl methyl ether,phenoxymethane,anizol,phenol methyl ether,methoxy-benzene |
| IUPAC Name | anisole |
| InChI Key | RDOXTESZEPMUJZ-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
9-Acetylanthracene, 96%
CAS: 784-04-3 Molecular Formula: C16H12O Molecular Weight (g/mol): 220.271 MDL Number: MFCD00001259 InChI Key: NXXNVJDXUHMAHU-UHFFFAOYSA-N Synonym: 9-acetylanthracene,1-anthracen-9-yl ethanone,9-acetoanthracene,9-anthryl methyl ketone,ethanone, 1-9-anthracenyl,1-9-anthryl ethanone,ketone, 9-anthryl methyl,9-acetyl anthracene,9-acetylanthrancene,9-acetylantracene PubChem CID: 69911 IUPAC Name: 1-anthracen-9-ylethanone SMILES: CC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31
| PubChem CID | 69911 |
|---|---|
| CAS | 784-04-3 |
| Molecular Weight (g/mol) | 220.271 |
| MDL Number | MFCD00001259 |
| SMILES | CC(=O)C1=C2C=CC=CC2=CC3=CC=CC=C31 |
| Synonym | 9-acetylanthracene,1-anthracen-9-yl ethanone,9-acetoanthracene,9-anthryl methyl ketone,ethanone, 1-9-anthracenyl,1-9-anthryl ethanone,ketone, 9-anthryl methyl,9-acetyl anthracene,9-acetylanthrancene,9-acetylantracene |
| IUPAC Name | 1-anthracen-9-ylethanone |
| InChI Key | NXXNVJDXUHMAHU-UHFFFAOYSA-N |
| Molecular Formula | C16H12O |
4-Methoxybenzylchloride, 98%, stabilized
CAS: 824-94-2 Molecular Formula: C8H9ClO Molecular Weight (g/mol): 156.61 MDL Number: MFCD00000915 InChI Key: MOHYOXXOKFQHDC-UHFFFAOYSA-N Synonym: 4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl PubChem CID: 69993 IUPAC Name: 1-(chloromethyl)-4-methoxybenzene SMILES: COC1=CC=C(C=C1)CCl
| PubChem CID | 69993 |
|---|---|
| CAS | 824-94-2 |
| Molecular Weight (g/mol) | 156.61 |
| MDL Number | MFCD00000915 |
| SMILES | COC1=CC=C(C=C1)CCl |
| Synonym | 4-methoxybenzyl chloride,4-methoxybenzylchloride,1-chloromethyl-4-methoxybenzene,p-methoxybenzyl chloride,p-anisyl chloride,alpha-chloro-4-methoxytoluene,p-chloromethyl anisole,benzene, 1-chloromethyl-4-methoxy,4-chloromethyl anisole,anisole, p-chloromethyl |
| IUPAC Name | 1-(chloromethyl)-4-methoxybenzene |
| InChI Key | MOHYOXXOKFQHDC-UHFFFAOYSA-N |
| Molecular Formula | C8H9ClO |
2-(1-Adamantyl)-4-methylphenol, 99%
CAS: 41031-50-9 Molecular Formula: C17H22O Molecular Weight (g/mol): 242.36 MDL Number: MFCD00168147 InChI Key: XHLJIHBDAJFXBE-UHFFFAOYSA-N Synonym: 2-1-adamantyl-4-methylphenol,2-adamantan-1-yl-4-methylphenol,pubchem21690,acmc-1anoj,2-1-adamantyl-4-methyl-phenol,2-adamantan-1-yl-4-methyl-phenol,phenol,4-methyl-2-tricyclo 3.3.1.13,7 dec-1-yl,4-methyl-2-3r,5s,7s-adamantan-1-yl phenol,phenol, 4-methyl-2-tricyclo 3.3.1.1 3,7 dec-1-yl PubChem CID: 617992 IUPAC Name: 2-(1-adamantyl)-4-methylphenol SMILES: CC1=CC(=C(O)C=C1)C12CC3CC(CC(C3)C1)C2
| PubChem CID | 617992 |
|---|---|
| CAS | 41031-50-9 |
| Molecular Weight (g/mol) | 242.36 |
| MDL Number | MFCD00168147 |
| SMILES | CC1=CC(=C(O)C=C1)C12CC3CC(CC(C3)C1)C2 |
| Synonym | 2-1-adamantyl-4-methylphenol,2-adamantan-1-yl-4-methylphenol,pubchem21690,acmc-1anoj,2-1-adamantyl-4-methyl-phenol,2-adamantan-1-yl-4-methyl-phenol,phenol,4-methyl-2-tricyclo 3.3.1.13,7 dec-1-yl,4-methyl-2-3r,5s,7s-adamantan-1-yl phenol,phenol, 4-methyl-2-tricyclo 3.3.1.1 3,7 dec-1-yl |
| IUPAC Name | 2-(1-adamantyl)-4-methylphenol |
| InChI Key | XHLJIHBDAJFXBE-UHFFFAOYSA-N |
| Molecular Formula | C17H22O |
1,4-Diphenoxybenzene, 97%
CAS: 3061-36-7 Molecular Formula: C18H14O2 Molecular Weight (g/mol): 262.308 MDL Number: MFCD00038368 InChI Key: UVGPELGZPWDPFP-UHFFFAOYSA-N Synonym: benzene, 1,4-diphenoxy,p-diphenoxybenzene,hydroquinone diphenyl ether,p-phenoxyphenoxybenzene,benzene, p-diphenoxy,4-phenoxydiphenyl oxide,1,1'-1,4-phenylenebis oxy dibenzene,1,4-diphenoxy-benzene,acmc-1cqa0 PubChem CID: 520487 ChEBI: CHEBI:39271 IUPAC Name: 1,4-diphenoxybenzene SMILES: C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=CC=CC=C3
| PubChem CID | 520487 |
|---|---|
| CAS | 3061-36-7 |
| Molecular Weight (g/mol) | 262.308 |
| ChEBI | CHEBI:39271 |
| MDL Number | MFCD00038368 |
| SMILES | C1=CC=C(C=C1)OC2=CC=C(C=C2)OC3=CC=CC=C3 |
| Synonym | benzene, 1,4-diphenoxy,p-diphenoxybenzene,hydroquinone diphenyl ether,p-phenoxyphenoxybenzene,benzene, p-diphenoxy,4-phenoxydiphenyl oxide,1,1'-1,4-phenylenebis oxy dibenzene,1,4-diphenoxy-benzene,acmc-1cqa0 |
| IUPAC Name | 1,4-diphenoxybenzene |
| InChI Key | UVGPELGZPWDPFP-UHFFFAOYSA-N |
| Molecular Formula | C18H14O2 |
2,4,6-Trimethylbenzyl alcohol, 98+%
CAS: 4170-90-5 Molecular Formula: C10H14O Molecular Weight (g/mol): 150.221 MDL Number: MFCD00014422 InChI Key: LODDFDHPSIYCTK-UHFFFAOYSA-N Synonym: 2,4,6-trimethylbenzyl alcohol,mesitylmethanol,mesitylcarbinol,2,4,6-trimethylphenyl methanol,unii-rev3kvt84n,benzenemethanol, 2,4,6-trimethyl,2,4,6-trimethylbenzylic alcohol,benzyl alcohol, 2,4,6-trimethyl,rev3kvt84n,2,4,6-trimethylphenyl methan-1-ol PubChem CID: 20139 IUPAC Name: (2,4,6-trimethylphenyl)methanol SMILES: CC1=CC(=C(C(=C1)C)CO)C
| PubChem CID | 20139 |
|---|---|
| CAS | 4170-90-5 |
| Molecular Weight (g/mol) | 150.221 |
| MDL Number | MFCD00014422 |
| SMILES | CC1=CC(=C(C(=C1)C)CO)C |
| Synonym | 2,4,6-trimethylbenzyl alcohol,mesitylmethanol,mesitylcarbinol,2,4,6-trimethylphenyl methanol,unii-rev3kvt84n,benzenemethanol, 2,4,6-trimethyl,2,4,6-trimethylbenzylic alcohol,benzyl alcohol, 2,4,6-trimethyl,rev3kvt84n,2,4,6-trimethylphenyl methan-1-ol |
| IUPAC Name | (2,4,6-trimethylphenyl)methanol |
| InChI Key | LODDFDHPSIYCTK-UHFFFAOYSA-N |
| Molecular Formula | C10H14O |
4-Bromo-N-methylbenzylamine, 97%
CAS: 699-03-6 Molecular Formula: C8H10BrN Molecular Weight (g/mol): 200.079 MDL Number: MFCD04507522 InChI Key: URFJXIULELMVHV-UHFFFAOYSA-N Synonym: n-methyl-4-bromobenzylamine,1-4-bromophenyl-n-methylmethanamine,4-bromo-n-methylbenzylamine,4-bromobenzyl methylamine,benzenemethanamine, 4-bromo-n-methyl,4-bromophenyl methyl methyl amine,4-bromo methylbenzylamine,1-4-bromophenyl-n-methyl-methanamine,acmc-20a2f7,4-bromo-benzyl-methyl-amine PubChem CID: 485400 IUPAC Name: 1-(4-bromophenyl)-N-methylmethanamine SMILES: CNCC1=CC=C(C=C1)Br
| PubChem CID | 485400 |
|---|---|
| CAS | 699-03-6 |
| Molecular Weight (g/mol) | 200.079 |
| MDL Number | MFCD04507522 |
| SMILES | CNCC1=CC=C(C=C1)Br |
| Synonym | n-methyl-4-bromobenzylamine,1-4-bromophenyl-n-methylmethanamine,4-bromo-n-methylbenzylamine,4-bromobenzyl methylamine,benzenemethanamine, 4-bromo-n-methyl,4-bromophenyl methyl methyl amine,4-bromo methylbenzylamine,1-4-bromophenyl-n-methyl-methanamine,acmc-20a2f7,4-bromo-benzyl-methyl-amine |
| IUPAC Name | 1-(4-bromophenyl)-N-methylmethanamine |
| InChI Key | URFJXIULELMVHV-UHFFFAOYSA-N |
| Molecular Formula | C8H10BrN |
Tetrakis(triphenylphosphine)palladium(0), 99.8% (metals basis), Pd 9% min
CAS: 14221-01-3 Molecular Formula: C72H60P4Pd Molecular Weight (g/mol): 1155.59 MDL Number: MFCD00010012 InChI Key: NFHFRUOZVGFOOS-UHFFFAOYSA-N PubChem CID: 11979704 SMILES: [Pd].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.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 11979704 |
|---|---|
| CAS | 14221-01-3 |
| Molecular Weight (g/mol) | 1155.59 |
| MDL Number | MFCD00010012 |
| SMILES | [Pd].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.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| InChI Key | NFHFRUOZVGFOOS-UHFFFAOYSA-N |
| Molecular Formula | C72H60P4Pd |
Phenyl vinyl sulfone, 99+%
CAS: 5535-48-8 Molecular Formula: C8H8O2S Molecular Weight (g/mol): 168.21 MDL Number: MFCD00007554 InChI Key: UJTPZISIAWDGFF-UHFFFAOYSA-N Synonym: phenyl vinyl sulfone,vinylsulfonyl benzene,ethenesulfonyl benzene,benzene, ethenylsulfonyl,sulfone, phenyl vinyl,vinylsulfonylbenzene,phenyl vinyl sulphone,ethenylsulfonyl benzene,ethenesulfonyl-benzene,phenyl-vinylsulfon PubChem CID: 79664 IUPAC Name: ethenylsulfonylbenzene SMILES: C=CS(=O)(=O)C1=CC=CC=C1
| PubChem CID | 79664 |
|---|---|
| CAS | 5535-48-8 |
| Molecular Weight (g/mol) | 168.21 |
| MDL Number | MFCD00007554 |
| SMILES | C=CS(=O)(=O)C1=CC=CC=C1 |
| Synonym | phenyl vinyl sulfone,vinylsulfonyl benzene,ethenesulfonyl benzene,benzene, ethenylsulfonyl,sulfone, phenyl vinyl,vinylsulfonylbenzene,phenyl vinyl sulphone,ethenylsulfonyl benzene,ethenesulfonyl-benzene,phenyl-vinylsulfon |
| IUPAC Name | ethenylsulfonylbenzene |
| InChI Key | UJTPZISIAWDGFF-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2S |
4,6-Di-tert-butyl-m-cresol 96.0+%, TCI America™
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CAS: 497-39-2 Molecular Formula: C15H24O Molecular Weight (g/mol): 220.356 MDL Number: MFCD00059208 InChI Key: WYSSJDOPILWQDC-UHFFFAOYSA-N Synonym: 2,4-Di-tert-butyl-5-hydroxytoluene, 2,4-Di-tert-butyl-5-methylphenol PubChem CID: 10346 IUPAC Name: 2,4-ditert-butyl-5-methylphenol SMILES: CC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)O
| PubChem CID | 10346 |
|---|---|
| CAS | 497-39-2 |
| Molecular Weight (g/mol) | 220.356 |
| MDL Number | MFCD00059208 |
| SMILES | CC1=CC(=C(C=C1C(C)(C)C)C(C)(C)C)O |
| Synonym | 2,4-Di-tert-butyl-5-hydroxytoluene, 2,4-Di-tert-butyl-5-methylphenol |
| IUPAC Name | 2,4-ditert-butyl-5-methylphenol |
| InChI Key | WYSSJDOPILWQDC-UHFFFAOYSA-N |
| Molecular Formula | C15H24O |