Benzene and substituted derivatives
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2,3,4,5,6-Pentafluorotoluene 98.0+%, TCI America™
CAS: 771-56-2 Molecular Formula: C7H3F5 Molecular Weight (g/mol): 182.093 MDL Number: MFCD00000298 InChI Key: SXPRVMIZFRCAGC-UHFFFAOYSA-N Synonym: 2,3,4,5,6-pentafluorotoluene,pentafluorotoluene,methyl pentafluorobenzene,pentafluoromethylbenzene,benzene, pentafluoromethyl,methylpentafluorobenzene,benzene, 1,2,3,4,5-pentafluoro-6-methyl,toluene, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro-toluene,n-methylpentafluorobenzene PubChem CID: 69869 IUPAC Name: 1,2,3,4,5-pentafluoro-6-methylbenzene SMILES: CC1=C(C(=C(C(=C1F)F)F)F)F
| PubChem CID | 69869 |
|---|---|
| CAS | 771-56-2 |
| Molecular Weight (g/mol) | 182.093 |
| MDL Number | MFCD00000298 |
| SMILES | CC1=C(C(=C(C(=C1F)F)F)F)F |
| Synonym | 2,3,4,5,6-pentafluorotoluene,pentafluorotoluene,methyl pentafluorobenzene,pentafluoromethylbenzene,benzene, pentafluoromethyl,methylpentafluorobenzene,benzene, 1,2,3,4,5-pentafluoro-6-methyl,toluene, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro-toluene,n-methylpentafluorobenzene |
| IUPAC Name | 1,2,3,4,5-pentafluoro-6-methylbenzene |
| InChI Key | SXPRVMIZFRCAGC-UHFFFAOYSA-N |
| Molecular Formula | C7H3F5 |
Pentafluorobenzene 98.0+%, TCI America™
CAS: 363-72-4 Molecular Formula: C6HF5 Molecular Weight (g/mol): 168.07 MDL Number: MFCD00000286 InChI Key: WACNXHCZHTVBJM-UHFFFAOYSA-N Synonym: pentafluorobenzene,benzene, pentafluoro,unii-ih36lu53xs,benzene, 1,2,3,4,5-pentafluoro,2,3,4,5,6-pentafluorobenzene,ih36lu53xs,1,2,3,4,5-pentafluoro-benzene,pentafluorophenyl,benzenepentafluoride,pubchem2310 PubChem CID: 9696 IUPAC Name: 1,2,3,4,5-pentafluorobenzene SMILES: FC1=CC(F)=C(F)C(F)=C1F
| PubChem CID | 9696 |
|---|---|
| CAS | 363-72-4 |
| Molecular Weight (g/mol) | 168.07 |
| MDL Number | MFCD00000286 |
| SMILES | FC1=CC(F)=C(F)C(F)=C1F |
| Synonym | pentafluorobenzene,benzene, pentafluoro,unii-ih36lu53xs,benzene, 1,2,3,4,5-pentafluoro,2,3,4,5,6-pentafluorobenzene,ih36lu53xs,1,2,3,4,5-pentafluoro-benzene,pentafluorophenyl,benzenepentafluoride,pubchem2310 |
| IUPAC Name | 1,2,3,4,5-pentafluorobenzene |
| InChI Key | WACNXHCZHTVBJM-UHFFFAOYSA-N |
| Molecular Formula | C6HF5 |
4-Aminostilbene 97.0+%, TCI America™
CAS: 834-24-2 Molecular Formula: C14H13N Molecular Weight (g/mol): 195.27 MDL Number: MFCD00025377 InChI Key: VFPLSXYJYAKZCT-VOTSOKGWSA-N Synonym: 4-Stilbenamine PubChem CID: 1272788 IUPAC Name: 4-[(1E)-2-phenylethenyl]aniline SMILES: NC1=CC=C(\C=C\C2=CC=CC=C2)C=C1
| PubChem CID | 1272788 |
|---|---|
| CAS | 834-24-2 |
| Molecular Weight (g/mol) | 195.27 |
| MDL Number | MFCD00025377 |
| SMILES | NC1=CC=C(\C=C\C2=CC=CC=C2)C=C1 |
| Synonym | 4-Stilbenamine |
| IUPAC Name | 4-[(1E)-2-phenylethenyl]aniline |
| InChI Key | VFPLSXYJYAKZCT-VOTSOKGWSA-N |
| Molecular Formula | C14H13N |
N-Methylbenzylamine 98.0+%, TCI America™
CAS: 103-67-3 Molecular Formula: C8H11N Molecular Weight (g/mol): 121.18 MDL Number: MFCD00008289 InChI Key: RIWRFSMVIUAEBX-UHFFFAOYSA-N Synonym: n-methylbenzylamine,methylbenzylamine,n-benzylmethylamine,benzyl methyl amine,benzenemethanamine, n-methyl,benzylmethylamine,n-methy-n-benzylamine,n-benzyl-n-methylamine,benzylamine, n-methyl,n-methyl phenyl methanamine PubChem CID: 7669 IUPAC Name: benzyl(methyl)amine SMILES: CNCC1=CC=CC=C1
| PubChem CID | 7669 |
|---|---|
| CAS | 103-67-3 |
| Molecular Weight (g/mol) | 121.18 |
| MDL Number | MFCD00008289 |
| SMILES | CNCC1=CC=CC=C1 |
| Synonym | n-methylbenzylamine,methylbenzylamine,n-benzylmethylamine,benzyl methyl amine,benzenemethanamine, n-methyl,benzylmethylamine,n-methy-n-benzylamine,n-benzyl-n-methylamine,benzylamine, n-methyl,n-methyl phenyl methanamine |
| IUPAC Name | benzyl(methyl)amine |
| InChI Key | RIWRFSMVIUAEBX-UHFFFAOYSA-N |
| Molecular Formula | C8H11N |
5-Amino-2-cyanobenzotrifluoride 98.0+%, TCI America™
CAS: 654-70-6 Molecular Formula: C8H5F3N2 Molecular Weight (g/mol): 186.137 MDL Number: MFCD00042155 InChI Key: PMDYLCUKSLBUHO-UHFFFAOYSA-N Synonym: 4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile PubChem CID: 522170 IUPAC Name: 4-amino-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1N)C(F)(F)F)C#N
| PubChem CID | 522170 |
|---|---|
| CAS | 654-70-6 |
| Molecular Weight (g/mol) | 186.137 |
| MDL Number | MFCD00042155 |
| SMILES | C1=CC(=C(C=C1N)C(F)(F)F)C#N |
| Synonym | 4-amino-2-trifluoromethyl benzonitrile,5-amino-2-cyanobenzotrifluoride,4-cyano-3-trifluoromethylaniline,2-cyano-5-aminobenzotrifluoride,4-cyano-3-trifluoromethyl aniline,benzonitrile, 4-amino-2-trifluoromethyl,unii-l47d9xhc08,4-amino 2-trifluoromethyl benzonitrile,2-trifluoromethyl-4-aminobenzonitrile,4-amino-2-trifluoromethyl benzenecarbonitrile |
| IUPAC Name | 4-amino-2-(trifluoromethyl)benzonitrile |
| InChI Key | PMDYLCUKSLBUHO-UHFFFAOYSA-N |
| Molecular Formula | C8H5F3N2 |
5-Aminosalicylic Acid 98.0+%, TCI America™
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 |
Tofisopam 98.0+%, TCI America™
CAS: 22345-47-7 Molecular Formula: C22H26N2O4 Molecular Weight (g/mol): 382.46 MDL Number: MFCD00823171 InChI Key: RUJBDQSFYCKFAA-UHFFFAOYSA-N Synonym: 1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-benzo[d][1,2]diazepine, 1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine PubChem CID: 5502 IUPAC Name: 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine SMILES: CCC1C(=NN=C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C
| PubChem CID | 5502 |
|---|---|
| CAS | 22345-47-7 |
| Molecular Weight (g/mol) | 382.46 |
| MDL Number | MFCD00823171 |
| SMILES | CCC1C(=NN=C(C2=CC(=C(C=C12)OC)OC)C3=CC(=C(C=C3)OC)OC)C |
| Synonym | 1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-benzo[d][1,2]diazepine, 1-(3,4-Dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine |
| IUPAC Name | 1-(3,4-dimethoxyphenyl)-5-ethyl-7,8-dimethoxy-4-methyl-5H-2,3-benzodiazepine |
| InChI Key | RUJBDQSFYCKFAA-UHFFFAOYSA-N |
| Molecular Formula | C22H26N2O4 |
Tetrafluoroterephthalonitrile 98.0+%, TCI America™
CAS: 1835-49-0 Molecular Formula: C8F4N2 Molecular Weight (g/mol): 200.096 MDL Number: MFCD00001776 InChI Key: PCRSJGWFEMHHEW-UHFFFAOYSA-N Synonym: tetrafluoroterephthalonitrile,2,3,5,6-tetrafluoroterephthalonitrile,diamond 2031,2,3,5,6-tetrafluoro-1,4-benzenedicarbonitrile,1,4-benzenedicarbonitrile, 2,3,5,6-tetrafluoro,1,4-dicyanotetrafluorobenzene,terephthalonitrile, tetrafluoro,perfluoroterephthalonitrile,tetrafluoroterephthalodinitrile,tetrafluorobenzene-1,4-dicarbonitrile PubChem CID: 15783 IUPAC Name: 2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile SMILES: C(#N)C1=C(C(=C(C(=C1F)F)C#N)F)F
| PubChem CID | 15783 |
|---|---|
| CAS | 1835-49-0 |
| Molecular Weight (g/mol) | 200.096 |
| MDL Number | MFCD00001776 |
| SMILES | C(#N)C1=C(C(=C(C(=C1F)F)C#N)F)F |
| Synonym | tetrafluoroterephthalonitrile,2,3,5,6-tetrafluoroterephthalonitrile,diamond 2031,2,3,5,6-tetrafluoro-1,4-benzenedicarbonitrile,1,4-benzenedicarbonitrile, 2,3,5,6-tetrafluoro,1,4-dicyanotetrafluorobenzene,terephthalonitrile, tetrafluoro,perfluoroterephthalonitrile,tetrafluoroterephthalodinitrile,tetrafluorobenzene-1,4-dicarbonitrile |
| IUPAC Name | 2,3,5,6-tetrafluorobenzene-1,4-dicarbonitrile |
| InChI Key | PCRSJGWFEMHHEW-UHFFFAOYSA-N |
| Molecular Formula | C8F4N2 |
p-Tolualdehyde 95.0+%, TCI America™
CAS: 104-87-0 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.151 MDL Number: MFCD00006954 InChI Key: FXLOVSHXALFLKQ-UHFFFAOYSA-N Synonym: p-tolualdehyde,4-tolualdehyde,p-formyltoluene,p-tolylaldehyde,p-toluylaldehyde,p-methylbenzaldehyde,para-tolualdehyde,benzaldehyde, 4-methyl,para-methylbenzaldehyde,para-toluyl aldehyde PubChem CID: 7725 ChEBI: CHEBI:28617 IUPAC Name: 4-methylbenzaldehyde SMILES: CC1=CC=C(C=C1)C=O
| PubChem CID | 7725 |
|---|---|
| CAS | 104-87-0 |
| Molecular Weight (g/mol) | 120.151 |
| ChEBI | CHEBI:28617 |
| MDL Number | MFCD00006954 |
| SMILES | CC1=CC=C(C=C1)C=O |
| Synonym | p-tolualdehyde,4-tolualdehyde,p-formyltoluene,p-tolylaldehyde,p-toluylaldehyde,p-methylbenzaldehyde,para-tolualdehyde,benzaldehyde, 4-methyl,para-methylbenzaldehyde,para-toluyl aldehyde |
| IUPAC Name | 4-methylbenzaldehyde |
| InChI Key | FXLOVSHXALFLKQ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O |
Tetrafluoroterephthalic Acid 97.0+%, TCI America™
CAS: 652-36-8 Molecular Formula: C8H2F4O4 Molecular Weight (g/mol): 238.09 MDL Number: MFCD00012301 InChI Key: WFNRNCNCXRGUKN-UHFFFAOYSA-N PubChem CID: 69549 IUPAC Name: tetrafluorobenzene-1,4-dicarboxylic acid SMILES: OC(=O)C1=C(F)C(F)=C(C(O)=O)C(F)=C1F
| PubChem CID | 69549 |
|---|---|
| CAS | 652-36-8 |
| Molecular Weight (g/mol) | 238.09 |
| MDL Number | MFCD00012301 |
| SMILES | OC(=O)C1=C(F)C(F)=C(C(O)=O)C(F)=C1F |
| IUPAC Name | tetrafluorobenzene-1,4-dicarboxylic acid |
| InChI Key | WFNRNCNCXRGUKN-UHFFFAOYSA-N |
| Molecular Formula | C8H2F4O4 |
Tris(triphenylphosphine)rhodium(I) Chloride 98.0+%, TCI America™
CAS: 14694-95-2 Molecular Formula: C54H45ClP3Rh Molecular Weight (g/mol): 925.23 MDL Number: MFCD00010016 InChI Key: IXAYKDDZKIZSPV-UHFFFAOYSA-M Synonym: chlorotris triphenylphosphine rhodium i,chlorotris triphenylphosphine rhodium,tris triphenylphosphine rhodium i chloride,tris triphenylphosphine chlororhodium,wilkinson's catalyst,unii-0fv534bkev,tris triphenylphosphine rhodium chloride,0fv534bkev,rhodium; triphenylphosphane; chloride PubChem CID: 84599 IUPAC Name: λ¹-rhodium(1+) tris(triphenylphosphane) chloride SMILES: [Cl-].[Rh+].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 | 84599 |
|---|---|
| CAS | 14694-95-2 |
| Molecular Weight (g/mol) | 925.23 |
| MDL Number | MFCD00010016 |
| SMILES | [Cl-].[Rh+].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 |
| Synonym | chlorotris triphenylphosphine rhodium i,chlorotris triphenylphosphine rhodium,tris triphenylphosphine rhodium i chloride,tris triphenylphosphine chlororhodium,wilkinson's catalyst,unii-0fv534bkev,tris triphenylphosphine rhodium chloride,0fv534bkev,rhodium; triphenylphosphane; chloride |
| IUPAC Name | λ¹-rhodium(1+) tris(triphenylphosphane) chloride |
| InChI Key | IXAYKDDZKIZSPV-UHFFFAOYSA-M |
| Molecular Formula | C54H45ClP3Rh |
Tolylene-2,6-diisocyanate 98.0+%, TCI America™
CAS: 91-08-7 Molecular Formula: C9H6N2O2 Molecular Weight (g/mol): 174.159 MDL Number: MFCD00002010 InChI Key: RUELTTOHQODFPA-UHFFFAOYSA-N Synonym: 2,6-diisocyanatotoluene,toluene-2,6-diisocyanate,2,6-toluene diisocyanate,2-methyl-m-phenylene diisocyanate,2,6-tdi,m-tolylene diisocyanate,meta-tolylene diisocyanate,toluene 2,6-diisocyanate,benzene, 1,3-diisocyanato-2-methyl,2,6-diisocyanato-1-methylbenzene PubChem CID: 7040 ChEBI: CHEBI:53557 IUPAC Name: 1,3-diisocyanato-2-methylbenzene SMILES: CC1=C(C=CC=C1N=C=O)N=C=O
| PubChem CID | 7040 |
|---|---|
| CAS | 91-08-7 |
| Molecular Weight (g/mol) | 174.159 |
| ChEBI | CHEBI:53557 |
| MDL Number | MFCD00002010 |
| SMILES | CC1=C(C=CC=C1N=C=O)N=C=O |
| Synonym | 2,6-diisocyanatotoluene,toluene-2,6-diisocyanate,2,6-toluene diisocyanate,2-methyl-m-phenylene diisocyanate,2,6-tdi,m-tolylene diisocyanate,meta-tolylene diisocyanate,toluene 2,6-diisocyanate,benzene, 1,3-diisocyanato-2-methyl,2,6-diisocyanato-1-methylbenzene |
| IUPAC Name | 1,3-diisocyanato-2-methylbenzene |
| InChI Key | RUELTTOHQODFPA-UHFFFAOYSA-N |
| Molecular Formula | C9H6N2O2 |
3-Fluorobenzonitrile 98.0+%, TCI America™
CAS: 403-54-3 Molecular Formula: C7H4FN Molecular Weight (g/mol): 121.11 MDL Number: MFCD00001797 InChI Key: JZTPKAROPNTQQV-UHFFFAOYSA-N Synonym: benzonitrile, 3-fluoro,m-fluorobenzonitrile,m-cyanofluorobenzene,benzonitrile, m-fluoro,3-fluoro-benzonitrile,3-fluorobenzenecarbonitrile,3-cyanofluorobenzene,1-cyano-3-fluorobenzene,ncr cf,m-fluorobenzonitile PubChem CID: 67880 IUPAC Name: 3-fluorobenzonitrile SMILES: FC1=CC=CC(=C1)C#N
| PubChem CID | 67880 |
|---|---|
| CAS | 403-54-3 |
| Molecular Weight (g/mol) | 121.11 |
| MDL Number | MFCD00001797 |
| SMILES | FC1=CC=CC(=C1)C#N |
| Synonym | benzonitrile, 3-fluoro,m-fluorobenzonitrile,m-cyanofluorobenzene,benzonitrile, m-fluoro,3-fluoro-benzonitrile,3-fluorobenzenecarbonitrile,3-cyanofluorobenzene,1-cyano-3-fluorobenzene,ncr cf,m-fluorobenzonitile |
| IUPAC Name | 3-fluorobenzonitrile |
| InChI Key | JZTPKAROPNTQQV-UHFFFAOYSA-N |
| Molecular Formula | C7H4FN |
2-Fluoroaniline 99.0+%, TCI America™
CAS: 348-54-9 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.12 MDL Number: MFCD00007642 InChI Key: FTZQXOJYPFINKJ-UHFFFAOYSA-N Synonym: o-fluoroaniline,benzenamine, 2-fluoro,1-amino-2-fluorobenzene,2-fluorobenzenamine,2-fluoro-phenylamine,2-fluoro-benzenamine,fluoroaniline-2,o-aminofluorobenzene,aniline, o-fluoro,2-fluorophenylamine PubChem CID: 9584 ChEBI: CHEBI:27526 IUPAC Name: 2-fluoroaniline SMILES: NC1=CC=CC=C1F
| PubChem CID | 9584 |
|---|---|
| CAS | 348-54-9 |
| Molecular Weight (g/mol) | 111.12 |
| ChEBI | CHEBI:27526 |
| MDL Number | MFCD00007642 |
| SMILES | NC1=CC=CC=C1F |
| Synonym | o-fluoroaniline,benzenamine, 2-fluoro,1-amino-2-fluorobenzene,2-fluorobenzenamine,2-fluoro-phenylamine,2-fluoro-benzenamine,fluoroaniline-2,o-aminofluorobenzene,aniline, o-fluoro,2-fluorophenylamine |
| IUPAC Name | 2-fluoroaniline |
| InChI Key | FTZQXOJYPFINKJ-UHFFFAOYSA-N |
| Molecular Formula | C6H6FN |
4-Fluorobenzotrifluoride 98.0+%, TCI America™
CAS: 402-44-8 Molecular Formula: C7H4F4 Molecular Weight (g/mol): 164.103 MDL Number: MFCD00000399 InChI Key: UNNNAIWPDLRVRN-UHFFFAOYSA-N Synonym: 4-fluorobenzotrifluoride,1-fluoro-4-trifluoromethyl benzene,p-fluorobenzotrifluoride,benzene, 1-fluoro-4-trifluoromethyl,alpha,alpha,alpha,4-tetrafluorotoluene,p-fluorotrifluoromethylbenzene,p-trifluoromethyl fluorobenzene,4-flourobenzotrifluoride,a,a,a,4-tetrafluorotoluene,4-trifluoromethyl fluorobenzene PubChem CID: 67873 IUPAC Name: 1-fluoro-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)F
| PubChem CID | 67873 |
|---|---|
| CAS | 402-44-8 |
| Molecular Weight (g/mol) | 164.103 |
| MDL Number | MFCD00000399 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)F |
| Synonym | 4-fluorobenzotrifluoride,1-fluoro-4-trifluoromethyl benzene,p-fluorobenzotrifluoride,benzene, 1-fluoro-4-trifluoromethyl,alpha,alpha,alpha,4-tetrafluorotoluene,p-fluorotrifluoromethylbenzene,p-trifluoromethyl fluorobenzene,4-flourobenzotrifluoride,a,a,a,4-tetrafluorotoluene,4-trifluoromethyl fluorobenzene |
| IUPAC Name | 1-fluoro-4-(trifluoromethyl)benzene |
| InChI Key | UNNNAIWPDLRVRN-UHFFFAOYSA-N |
| Molecular Formula | C7H4F4 |