Benzene and substituted derivatives
Filtered Search Results
4-Amino-3-fluorobenzonitrile 98.0+%, TCI America™
CAS: 63069-50-1 Molecular Formula: C7H5FN2 Molecular Weight (g/mol): 136.129 MDL Number: MFCD00055559 InChI Key: RLMBRRQWBTWGMB-UHFFFAOYSA-N Synonym: 3-fluoro-4-aminobenzonitrile,4-cyano-2-fluoroaniline,benzonitrile, 4-amino-3-fluoro,4-amino-3-fluorobenzenecarbonitrile,4-amino-3-fluoro-benzonitrile,pubchem4638,4-cyano-2-fluoro-aniline,acmc-1bc36,ksc494c4h,3-fluoro-4-aminobenzonitrile;4-amino-3-fluorobenzonitrile PubChem CID: 2756431 IUPAC Name: 4-amino-3-fluorobenzonitrile SMILES: C1=CC(=C(C=C1C#N)F)N
| PubChem CID | 2756431 |
|---|---|
| CAS | 63069-50-1 |
| Molecular Weight (g/mol) | 136.129 |
| MDL Number | MFCD00055559 |
| SMILES | C1=CC(=C(C=C1C#N)F)N |
| Synonym | 3-fluoro-4-aminobenzonitrile,4-cyano-2-fluoroaniline,benzonitrile, 4-amino-3-fluoro,4-amino-3-fluorobenzenecarbonitrile,4-amino-3-fluoro-benzonitrile,pubchem4638,4-cyano-2-fluoro-aniline,acmc-1bc36,ksc494c4h,3-fluoro-4-aminobenzonitrile;4-amino-3-fluorobenzonitrile |
| IUPAC Name | 4-amino-3-fluorobenzonitrile |
| InChI Key | RLMBRRQWBTWGMB-UHFFFAOYSA-N |
| Molecular Formula | C7H5FN2 |
4-(1-Propenyl)-1,2-dimethoxybenzene 98.0+%, TCI America™
CAS: 93-16-3 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00009282 InChI Key: NNWHUJCUHAELCL-PLNGDYQASA-N Synonym: 1,2-Dimethoxy-4-(1-propenyl)benzene, O-Methyl Isoeugenol, 4-(1-Propenyl)pyrocatechol Dimethyl Ether PubChem CID: 1549045 ChEBI: CHEBI:50550 IUPAC Name: 1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene SMILES: CC=CC1=CC(=C(C=C1)OC)OC
| PubChem CID | 1549045 |
|---|---|
| CAS | 93-16-3 |
| Molecular Weight (g/mol) | 178.231 |
| ChEBI | CHEBI:50550 |
| MDL Number | MFCD00009282 |
| SMILES | CC=CC1=CC(=C(C=C1)OC)OC |
| Synonym | 1,2-Dimethoxy-4-(1-propenyl)benzene, O-Methyl Isoeugenol, 4-(1-Propenyl)pyrocatechol Dimethyl Ether |
| IUPAC Name | 1,2-dimethoxy-4-[(Z)-prop-1-enyl]benzene |
| InChI Key | NNWHUJCUHAELCL-PLNGDYQASA-N |
| Molecular Formula | C11H14O2 |
1,1-Bis(4-hydroxy-3-methylphenyl)cyclohexane 98.0+%, TCI America™
CAS: 2362-14-3 Molecular Formula: C20H24O2 Molecular Weight (g/mol): 296.41 InChI Key: SVOBELCYOCEECO-UHFFFAOYSA-N Synonym: 4,4′C-Cyclohexylidenebis(o-cresol), 4,4′C-Cyclohexylidenebis(2-methylphenol) PubChem CID: 75386 IUPAC Name: 4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol SMILES: CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)O)C)O
| PubChem CID | 75386 |
|---|---|
| CAS | 2362-14-3 |
| Molecular Weight (g/mol) | 296.41 |
| SMILES | CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)O)C)O |
| Synonym | 4,4′C-Cyclohexylidenebis(o-cresol), 4,4′C-Cyclohexylidenebis(2-methylphenol) |
| IUPAC Name | 4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol |
| InChI Key | SVOBELCYOCEECO-UHFFFAOYSA-N |
| Molecular Formula | C20H24O2 |
Letrozole 98.0+%, TCI America™
CAS: 112809-51-5 Molecular Formula: C17H11N5 Molecular Weight (g/mol): 285.31 MDL Number: MFCD00866241 InChI Key: HPJKCIUCZWXJDR-UHFFFAOYSA-N Synonym: letrozole,femara,4,4'-1h-1,2,4-triazol-1-yl methylene dibenzonitrile,letrozol,letoval,letrazole,femera,letrozole usan:inn,unii-7lkk855w8i,4,4'-1h-1,2,4-triazol-1-ylmethanediyl dibenzonitrile PubChem CID: 3902 ChEBI: CHEBI:6413 IUPAC Name: 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile SMILES: C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3
| PubChem CID | 3902 |
|---|---|
| CAS | 112809-51-5 |
| Molecular Weight (g/mol) | 285.31 |
| ChEBI | CHEBI:6413 |
| MDL Number | MFCD00866241 |
| SMILES | C1=CC(=CC=C1C#N)C(C2=CC=C(C=C2)C#N)N3C=NC=N3 |
| Synonym | letrozole,femara,4,4'-1h-1,2,4-triazol-1-yl methylene dibenzonitrile,letrozol,letoval,letrazole,femera,letrozole usan:inn,unii-7lkk855w8i,4,4'-1h-1,2,4-triazol-1-ylmethanediyl dibenzonitrile |
| IUPAC Name | 4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile |
| InChI Key | HPJKCIUCZWXJDR-UHFFFAOYSA-N |
| Molecular Formula | C17H11N5 |
1-Amino-2-bromonaphthalene 98.0+%, TCI America™
CAS: 771-14-2 Molecular Formula: C10H8BrN Molecular Weight (g/mol): 222.09 MDL Number: MFCD11870111 InChI Key: YEHNFUTUJAFCAW-UHFFFAOYSA-N Synonym: 2-Bromo-1-naphthylamine PubChem CID: 10889478 IUPAC Name: 2-bromonaphthalen-1-amine SMILES: NC1=C(Br)C=CC2=CC=CC=C12
| PubChem CID | 10889478 |
|---|---|
| CAS | 771-14-2 |
| Molecular Weight (g/mol) | 222.09 |
| MDL Number | MFCD11870111 |
| SMILES | NC1=C(Br)C=CC2=CC=CC=C12 |
| Synonym | 2-Bromo-1-naphthylamine |
| IUPAC Name | 2-bromonaphthalen-1-amine |
| InChI Key | YEHNFUTUJAFCAW-UHFFFAOYSA-N |
| Molecular Formula | C10H8BrN |
4-Bromo-2-nitroanisole 98.0+%, TCI America™
CAS: 33696-00-3 Molecular Formula: C7H6BrNO3 Molecular Weight (g/mol): 232.033 MDL Number: MFCD00055529 InChI Key: ORBHQHXVVMZIDP-UHFFFAOYSA-N Synonym: 4-bromo-2-nitroanisole,2-methoxy-5-bromonitrobenzene,4-brom-2-nitroanisole,4-bromo-2-nitro anisole,5-bromo-2-methoxynitrobenzene,3-nitro-4-methoxy bromobenzene,1-methoxy-2-nitro-4-bromobenzene,benzene, 4-bromo-1-methoxy-2-nitro,pubchem5341,4-brom-2-nitroanisol PubChem CID: 118533 IUPAC Name: 4-bromo-1-methoxy-2-nitrobenzene SMILES: COC1=C(C=C(C=C1)Br)[N+](=O)[O-]
| PubChem CID | 118533 |
|---|---|
| CAS | 33696-00-3 |
| Molecular Weight (g/mol) | 232.033 |
| MDL Number | MFCD00055529 |
| SMILES | COC1=C(C=C(C=C1)Br)[N+](=O)[O-] |
| Synonym | 4-bromo-2-nitroanisole,2-methoxy-5-bromonitrobenzene,4-brom-2-nitroanisole,4-bromo-2-nitro anisole,5-bromo-2-methoxynitrobenzene,3-nitro-4-methoxy bromobenzene,1-methoxy-2-nitro-4-bromobenzene,benzene, 4-bromo-1-methoxy-2-nitro,pubchem5341,4-brom-2-nitroanisol |
| IUPAC Name | 4-bromo-1-methoxy-2-nitrobenzene |
| InChI Key | ORBHQHXVVMZIDP-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrNO3 |
Trimethylene Di(thiotosylate) 95.0+%, TCI America™
CAS: 3866-79-3 Molecular Formula: C17H20O4S4 Molecular Weight (g/mol): 416.583 MDL Number: MFCD00014918 InChI Key: QOICHLMIPNOKLN-UHFFFAOYSA-N Synonym: 1,3-Di(p-tosylthio)propane, 1,3-Propanediyl Di(thiotosylate), Trimethylene Bis(p-toluenethiosulfonate) PubChem CID: 256129 IUPAC Name: 1-methyl-4-[3-(4-methylphenyl)sulfonylsulfanylpropylsulfanylsulfonyl]benzene SMILES: CC1=CC=C(C=C1)S(=O)(=O)SCCCSS(=O)(=O)C2=CC=C(C=C2)C
| PubChem CID | 256129 |
|---|---|
| CAS | 3866-79-3 |
| Molecular Weight (g/mol) | 416.583 |
| MDL Number | MFCD00014918 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)SCCCSS(=O)(=O)C2=CC=C(C=C2)C |
| Synonym | 1,3-Di(p-tosylthio)propane, 1,3-Propanediyl Di(thiotosylate), Trimethylene Bis(p-toluenethiosulfonate) |
| IUPAC Name | 1-methyl-4-[3-(4-methylphenyl)sulfonylsulfanylpropylsulfanylsulfonyl]benzene |
| InChI Key | QOICHLMIPNOKLN-UHFFFAOYSA-N |
| Molecular Formula | C17H20O4S4 |
4-Chlorodiphenylmethane 96.0+%, TCI America™
CAS: 831-81-2 Molecular Formula: C13H11Cl Molecular Weight (g/mol): 202.681 MDL Number: MFCD00094070 InChI Key: NPOGRKGIBGKRNI-UHFFFAOYSA-N PubChem CID: 13253 IUPAC Name: 1-benzyl-4-chlorobenzene SMILES: C1=CC=C(C=C1)CC2=CC=C(C=C2)Cl
| PubChem CID | 13253 |
|---|---|
| CAS | 831-81-2 |
| Molecular Weight (g/mol) | 202.681 |
| MDL Number | MFCD00094070 |
| SMILES | C1=CC=C(C=C1)CC2=CC=C(C=C2)Cl |
| IUPAC Name | 1-benzyl-4-chlorobenzene |
| InChI Key | NPOGRKGIBGKRNI-UHFFFAOYSA-N |
| Molecular Formula | C13H11Cl |
o-Tolidine Dihydrochloride 98.0+%, TCI America™
CAS: 612-82-8 Molecular Formula: C14H18Cl2N2 Molecular Weight (g/mol): 285.212 MDL Number: MFCD00012960 InChI Key: LUKPNZHXJRJBAN-UHFFFAOYSA-N Synonym: 3,3'-dimethylbenzidine dihydrochloride,o-tolidine dihydrochloride,3,3'-dimethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-5msk350kd8,dsstox_cid_511,dsstox_rid_75633,dsstox_gsid_20511,tolidine dihydrochloride,1,1'-biphenyl-4,4'-diamine, 3,3'-dimethyl-, dihydrochloride,3,3'-dimethylbenzidine.2hcl PubChem CID: 108938 IUPAC Name: 4-(4-amino-3-methylphenyl)-2-methylaniline;dihydrochloride SMILES: CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl
| PubChem CID | 108938 |
|---|---|
| CAS | 612-82-8 |
| Molecular Weight (g/mol) | 285.212 |
| MDL Number | MFCD00012960 |
| SMILES | CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)C)N.Cl.Cl |
| Synonym | 3,3'-dimethylbenzidine dihydrochloride,o-tolidine dihydrochloride,3,3'-dimethyl-1,1'-biphenyl-4,4'-diamine dihydrochloride,unii-5msk350kd8,dsstox_cid_511,dsstox_rid_75633,dsstox_gsid_20511,tolidine dihydrochloride,1,1'-biphenyl-4,4'-diamine, 3,3'-dimethyl-, dihydrochloride,3,3'-dimethylbenzidine.2hcl |
| IUPAC Name | 4-(4-amino-3-methylphenyl)-2-methylaniline;dihydrochloride |
| InChI Key | LUKPNZHXJRJBAN-UHFFFAOYSA-N |
| Molecular Formula | C14H18Cl2N2 |
2,4-Diaminoanisole Dihydrochloride 99.0+%, TCI America™
CAS: 614-94-8 Molecular Formula: C7H12Cl2N2O Molecular Weight (g/mol): 211.086 MDL Number: MFCD00054337 InChI Key: FNGHHDCBSVSOOI-UHFFFAOYSA-N Synonym: 4-Methoxy-1,3-phenylenediamine Dihydrochloride PubChem CID: 11975 IUPAC Name: 4-methoxybenzene-1,3-diamine;dihydrochloride SMILES: COC1=C(C=C(C=C1)N)N.Cl.Cl
| PubChem CID | 11975 |
|---|---|
| CAS | 614-94-8 |
| Molecular Weight (g/mol) | 211.086 |
| MDL Number | MFCD00054337 |
| SMILES | COC1=C(C=C(C=C1)N)N.Cl.Cl |
| Synonym | 4-Methoxy-1,3-phenylenediamine Dihydrochloride |
| IUPAC Name | 4-methoxybenzene-1,3-diamine;dihydrochloride |
| InChI Key | FNGHHDCBSVSOOI-UHFFFAOYSA-N |
| Molecular Formula | C7H12Cl2N2O |
Carbonylhydridotris(triphenylphosphine)rhodium(I), TCI America™
CAS: 17185-29-4 Molecular Formula: C55H46OP3Rh Molecular Weight (g/mol): 918.80 MDL Number: MFCD00151644 InChI Key: AACIZACVKFEETJ-UHFFFAOYSA-N Synonym: tristriphenylphosphine rhodium carbonyl hydride,hydridocarbonyltris triphenylphosphine rhodium i PubChem CID: 132451836 IUPAC Name: methanidylidyneoxidanium tris(triphenylphosphane) λ¹-rhodium SMILES: [RhH].[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 | 132451836 |
|---|---|
| CAS | 17185-29-4 |
| Molecular Weight (g/mol) | 918.80 |
| MDL Number | MFCD00151644 |
| SMILES | [RhH].[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 |
| Synonym | tristriphenylphosphine rhodium carbonyl hydride,hydridocarbonyltris triphenylphosphine rhodium i |
| IUPAC Name | methanidylidyneoxidanium tris(triphenylphosphane) λ¹-rhodium |
| InChI Key | AACIZACVKFEETJ-UHFFFAOYSA-N |
| Molecular Formula | C55H46OP3Rh |
Nimesulide 98.0+%, TCI America™
CAS: 51803-78-2 Molecular Formula: C13H12N2O5S Molecular Weight (g/mol): 308.308 MDL Number: MFCD00079470 InChI Key: HYWYRSMBCFDLJT-UHFFFAOYSA-N Synonym: nimesulide,mesulid,n-4-nitro-2-phenoxyphenyl methanesulfonamide,flogovital,sulidene,nimed,4-nitro-2-phenoxymethanesulfonanilide,nisulid,nimesulidum inn-latin,nimesulida inn-spanish PubChem CID: 4495 ChEBI: CHEBI:44445 IUPAC Name: N-(4-nitro-2-phenoxyphenyl)methanesulfonamide SMILES: CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2
| PubChem CID | 4495 |
|---|---|
| CAS | 51803-78-2 |
| Molecular Weight (g/mol) | 308.308 |
| ChEBI | CHEBI:44445 |
| MDL Number | MFCD00079470 |
| SMILES | CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2 |
| Synonym | nimesulide,mesulid,n-4-nitro-2-phenoxyphenyl methanesulfonamide,flogovital,sulidene,nimed,4-nitro-2-phenoxymethanesulfonanilide,nisulid,nimesulidum inn-latin,nimesulida inn-spanish |
| IUPAC Name | N-(4-nitro-2-phenoxyphenyl)methanesulfonamide |
| InChI Key | HYWYRSMBCFDLJT-UHFFFAOYSA-N |
| Molecular Formula | C13H12N2O5S |
Methyl 3-Methoxy-4-methylbenzoate 98.0+%, TCI America™
CAS: 3556-83-0 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00082710 InChI Key: LLEXCSBUSVRBCA-UHFFFAOYSA-N Synonym: 3-methoxy-4-methylbenzoic acid methyl ester,methyl 3-methoxy-p-toluate,4-methyl-m-anisic acid methyl ester,benzoic acid, 3-methoxy-4-methyl-, methyl ester,pubchem13650,methyl 4-methyl-m-anisate,acmc-1cs22,methyl3-methoxy-4-methylbenzoate,methyl 3-methoxy-4-methyl-benzoate,3-methoxy-p-toluic acid methyl ester PubChem CID: 591123 IUPAC Name: methyl 3-methoxy-4-methylbenzoate SMILES: CC1=C(C=C(C=C1)C(=O)OC)OC
| PubChem CID | 591123 |
|---|---|
| CAS | 3556-83-0 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00082710 |
| SMILES | CC1=C(C=C(C=C1)C(=O)OC)OC |
| Synonym | 3-methoxy-4-methylbenzoic acid methyl ester,methyl 3-methoxy-p-toluate,4-methyl-m-anisic acid methyl ester,benzoic acid, 3-methoxy-4-methyl-, methyl ester,pubchem13650,methyl 4-methyl-m-anisate,acmc-1cs22,methyl3-methoxy-4-methylbenzoate,methyl 3-methoxy-4-methyl-benzoate,3-methoxy-p-toluic acid methyl ester |
| IUPAC Name | methyl 3-methoxy-4-methylbenzoate |
| InChI Key | LLEXCSBUSVRBCA-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Ethyl trans-3-Benzoylacrylate 95.0+%, TCI America™
CAS: 15121-89-8 Molecular Formula: C12H12O3 Molecular Weight (g/mol): 204.225 MDL Number: MFCD00011533 InChI Key: ACXLBHHUHSJENU-CMDGGOBGSA-N Synonym: trans-3-Benzoylacrylic Acid Ethyl Ester PubChem CID: 5369605 IUPAC Name: ethyl (E)-4-oxo-4-phenylbut-2-enoate SMILES: CCOC(=O)C=CC(=O)C1=CC=CC=C1
| PubChem CID | 5369605 |
|---|---|
| CAS | 15121-89-8 |
| Molecular Weight (g/mol) | 204.225 |
| MDL Number | MFCD00011533 |
| SMILES | CCOC(=O)C=CC(=O)C1=CC=CC=C1 |
| Synonym | trans-3-Benzoylacrylic Acid Ethyl Ester |
| IUPAC Name | ethyl (E)-4-oxo-4-phenylbut-2-enoate |
| InChI Key | ACXLBHHUHSJENU-CMDGGOBGSA-N |
| Molecular Formula | C12H12O3 |
4-Chlorosalicylic Acid 98.0+%, TCI America™
CAS: 5106-98-9 Molecular Formula: C7H5ClO3 Molecular Weight (g/mol): 172.56 MDL Number: MFCD00002449 InChI Key: LWXFCZXRFBUOOR-UHFFFAOYSA-N Synonym: 4-chlorosalicylic acid,4-chloro salicylic acid,benzoic acid, 4-chloro-2-hydroxy,2-hydroxy-4-chlorobenzoic acid,4-chloro-2-hydroxy benzoic acid,4-chloro-2-hydroxy-benzoic acid,salicylic acid, 4-chloro,4-chlorosalicylicacid,pubchem3845,4-chloro-salicylic acid PubChem CID: 78782 IUPAC Name: 4-chloro-2-hydroxybenzoic acid SMILES: OC(=O)C1=CC=C(Cl)C=C1O
| PubChem CID | 78782 |
|---|---|
| CAS | 5106-98-9 |
| Molecular Weight (g/mol) | 172.56 |
| MDL Number | MFCD00002449 |
| SMILES | OC(=O)C1=CC=C(Cl)C=C1O |
| Synonym | 4-chlorosalicylic acid,4-chloro salicylic acid,benzoic acid, 4-chloro-2-hydroxy,2-hydroxy-4-chlorobenzoic acid,4-chloro-2-hydroxy benzoic acid,4-chloro-2-hydroxy-benzoic acid,salicylic acid, 4-chloro,4-chlorosalicylicacid,pubchem3845,4-chloro-salicylic acid |
| IUPAC Name | 4-chloro-2-hydroxybenzoic acid |
| InChI Key | LWXFCZXRFBUOOR-UHFFFAOYSA-N |
| Molecular Formula | C7H5ClO3 |