Benzene and substituted derivatives
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Furosemide 99.0+%, TCI America™
CAS: 54-31-9 Molecular Formula: C12H11ClN2O5S Molecular Weight (g/mol): 330.739 MDL Number: MFCD00010549 InChI Key: ZZUFCTLCJUWOSV-UHFFFAOYSA-N Synonym: furosemide,frusemide,lasix,furosemid,furanthril,errolon,fusid,aisemide,beronald,desdemin PubChem CID: 3440 ChEBI: CHEBI:47426 IUPAC Name: 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid SMILES: C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl
| PubChem CID | 3440 |
|---|---|
| CAS | 54-31-9 |
| Molecular Weight (g/mol) | 330.739 |
| ChEBI | CHEBI:47426 |
| MDL Number | MFCD00010549 |
| SMILES | C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl |
| Synonym | furosemide,frusemide,lasix,furosemid,furanthril,errolon,fusid,aisemide,beronald,desdemin |
| IUPAC Name | 4-chloro-2-(furan-2-ylmethylamino)-5-sulfamoylbenzoic acid |
| InChI Key | ZZUFCTLCJUWOSV-UHFFFAOYSA-N |
| Molecular Formula | C12H11ClN2O5S |
3-Fluorobenzaldehyde 97.0+%, TCI America™
CAS: 456-48-4 Molecular Formula: C7H5FO Molecular Weight (g/mol): 124.114 MDL Number: MFCD00003348 InChI Key: PIKNVEVCWAAOMJ-UHFFFAOYSA-N Synonym: m-fluorobenzaldehyde,benzaldehyde, 3-fluoro,3'-fluoro-benzaldehyde,3-fluoro-benzaldehyde,meta-fluorobenzaldehyde,benzaldehyde, m-fluoro,3-fc6h4cho,3-fluorobenzaldehyde,3-fluoro benzaldehyde,pubchem3477 PubChem CID: 68009 IUPAC Name: 3-fluorobenzaldehyde SMILES: C1=CC(=CC(=C1)F)C=O
| PubChem CID | 68009 |
|---|---|
| CAS | 456-48-4 |
| Molecular Weight (g/mol) | 124.114 |
| MDL Number | MFCD00003348 |
| SMILES | C1=CC(=CC(=C1)F)C=O |
| Synonym | m-fluorobenzaldehyde,benzaldehyde, 3-fluoro,3'-fluoro-benzaldehyde,3-fluoro-benzaldehyde,meta-fluorobenzaldehyde,benzaldehyde, m-fluoro,3-fc6h4cho,3-fluorobenzaldehyde,3-fluoro benzaldehyde,pubchem3477 |
| IUPAC Name | 3-fluorobenzaldehyde |
| InChI Key | PIKNVEVCWAAOMJ-UHFFFAOYSA-N |
| Molecular Formula | C7H5FO |
2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde 97.0+%, TCI America™
CAS: 380151-85-9 Molecular Formula: C13H17BO3 Molecular Weight (g/mol): 232.09 MDL Number: MFCD07363841 InChI Key: SLJMPQLPRHIAOM-UHFFFAOYSA-N Synonym: 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-formylphenylboronic acid pinacol ester,2-formylphenyl boronic acid pinacol ester,2-formylphenylboronic acid, pinacol ester,2-formylbenzeneboronic acid pinacol ester,2-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-2-formylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzaldehyde,amtb063,2-boronobenzaldehyde, pinacol ester PubChem CID: 10977322 IUPAC Name: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde SMILES: CC1(C)OB(OC1(C)C)C1=CC=CC=C1C=O
| PubChem CID | 10977322 |
|---|---|
| CAS | 380151-85-9 |
| Molecular Weight (g/mol) | 232.09 |
| MDL Number | MFCD07363841 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=CC=C1C=O |
| Synonym | 2-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-formylphenylboronic acid pinacol ester,2-formylphenyl boronic acid pinacol ester,2-formylphenylboronic acid, pinacol ester,2-formylbenzeneboronic acid pinacol ester,2-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-2-formylphenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,2-4,4,5,5-tetramethyl-1,3,2 dioxaborolan-2-yl-benzaldehyde,amtb063,2-boronobenzaldehyde, pinacol ester |
| IUPAC Name | 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
| InChI Key | SLJMPQLPRHIAOM-UHFFFAOYSA-N |
| Molecular Formula | C13H17BO3 |
(Triphenylphosphoranylidene)acetonitrile 98.0+%, TCI America™
CAS: 16640-68-9 Molecular Formula: C20H16NP Molecular Weight (g/mol): 301.33 MDL Number: MFCD00567633 InChI Key: APISVOVOJVZIBA-UHFFFAOYSA-N Synonym: triphenylphosphoranylidene acetonitrile,2-triphenylphosphoranylidene acetonitrile,cyanomethylene triphenylphosphorane,acetonitrile, triphenylphosphoranylidene,2-triphenyl-$l^ 5-phosphanylidene acetonitrile,2-triphenyl-??-phosphanylidene acetonitrile,acmc-1c6hd,ksc493a4b,cyanomethylenetriphenylphosphorane PubChem CID: 85524 IUPAC Name: 2-(triphenyl-λ⁵-phosphanylidene)acetonitrile SMILES: N#CC=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 85524 |
|---|---|
| CAS | 16640-68-9 |
| Molecular Weight (g/mol) | 301.33 |
| MDL Number | MFCD00567633 |
| SMILES | N#CC=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | triphenylphosphoranylidene acetonitrile,2-triphenylphosphoranylidene acetonitrile,cyanomethylene triphenylphosphorane,acetonitrile, triphenylphosphoranylidene,2-triphenyl-$l^ 5-phosphanylidene acetonitrile,2-triphenyl-??-phosphanylidene acetonitrile,acmc-1c6hd,ksc493a4b,cyanomethylenetriphenylphosphorane |
| IUPAC Name | 2-(triphenyl-λ⁵-phosphanylidene)acetonitrile |
| InChI Key | APISVOVOJVZIBA-UHFFFAOYSA-N |
| Molecular Formula | C20H16NP |
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 |
Amyltriphenylphosphonium Bromide 98.0+%, TCI America™
CAS: 21406-61-1 Molecular Formula: C23H26BrP Molecular Weight (g/mol): 413.34 MDL Number: MFCD00031630 InChI Key: VAUKWMSXUKODHR-UHFFFAOYSA-M Synonym: pentyltriphenylphosphonium bromide,amyltriphenylphosphonium bromide,n-amyl triphenylphosphonium bromide,pentyltriphenylphosphanium bromide,1-pentyl triphenylphosphonium bromide,triphenyl-n-amylphosphonium bromide,pentyl triphenyl phosphanium bromide,phosphonium, pentyltriphenyl-, bromide,pentyl triphenyl phosphonium bromide,pubchem15722 PubChem CID: 2724565 IUPAC Name: pentyltriphenylphosphanium bromide SMILES: [Br-].CCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2724565 |
|---|---|
| CAS | 21406-61-1 |
| Molecular Weight (g/mol) | 413.34 |
| MDL Number | MFCD00031630 |
| SMILES | [Br-].CCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | pentyltriphenylphosphonium bromide,amyltriphenylphosphonium bromide,n-amyl triphenylphosphonium bromide,pentyltriphenylphosphanium bromide,1-pentyl triphenylphosphonium bromide,triphenyl-n-amylphosphonium bromide,pentyl triphenyl phosphanium bromide,phosphonium, pentyltriphenyl-, bromide,pentyl triphenyl phosphonium bromide,pubchem15722 |
| IUPAC Name | pentyltriphenylphosphanium bromide |
| InChI Key | VAUKWMSXUKODHR-UHFFFAOYSA-M |
| Molecular Formula | C23H26BrP |
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 |
3-Fluoro-N-methylbenzylamine 97.0+%, TCI America™
CAS: 90389-84-7 Molecular Formula: C8H10FN Molecular Weight (g/mol): 139.17 MDL Number: MFCD04623547 InChI Key: ZXWCKKSSCIFVBT-UHFFFAOYSA-N Synonym: 3-fluorobenzyl methylamine,n-methyl-3-fluorobenzylamine,3-fluoro-n-methylbenzylamine,1-3-fluorophenyl-n-methylmethanamine,benzenemethanamine, 3-fluoro-n-methyl,3-fluorophenyl methyl methyl amine,1-3-fluorophenyl-n-methyl-methanamine,3-fluorophenyl-n-methylmethanamine,3-fluorobenzyl-methylamine,acmc-209r5x PubChem CID: 457577 IUPAC Name: [(3-fluorophenyl)methyl](methyl)amine SMILES: CNCC1=CC=CC(F)=C1
| PubChem CID | 457577 |
|---|---|
| CAS | 90389-84-7 |
| Molecular Weight (g/mol) | 139.17 |
| MDL Number | MFCD04623547 |
| SMILES | CNCC1=CC=CC(F)=C1 |
| Synonym | 3-fluorobenzyl methylamine,n-methyl-3-fluorobenzylamine,3-fluoro-n-methylbenzylamine,1-3-fluorophenyl-n-methylmethanamine,benzenemethanamine, 3-fluoro-n-methyl,3-fluorophenyl methyl methyl amine,1-3-fluorophenyl-n-methyl-methanamine,3-fluorophenyl-n-methylmethanamine,3-fluorobenzyl-methylamine,acmc-209r5x |
| IUPAC Name | [(3-fluorophenyl)methyl](methyl)amine |
| InChI Key | ZXWCKKSSCIFVBT-UHFFFAOYSA-N |
| Molecular Formula | C8H10FN |
4-(Trifluoromethyl)styrene (stabilized with TBC) 98.0+%, TCI America™
CAS: 402-50-6 Molecular Formula: C9H7F3 Molecular Weight (g/mol): 172.15 MDL Number: MFCD00075539 InChI Key: CEWDRCQPGANDRS-UHFFFAOYSA-N Synonym: 1-trifluoromethyl-4-vinylbenzene,4-trifluoromethyl styrene,4-trifluoromethylstyrene,1-ethenyl-4-trifluoromethyl benzene,4-vinylbenzotrifluoride,1-trifluoromethyl-4-vinyl-benzene,4-trifluoromethystyrene,p-trifluoromethylstyrene,pubchem15485,acmc-1aivr PubChem CID: 2782798 IUPAC Name: 1-ethenyl-4-(trifluoromethyl)benzene SMILES: C=CC1=CC=C(C=C1)C(F)(F)F
| PubChem CID | 2782798 |
|---|---|
| CAS | 402-50-6 |
| Molecular Weight (g/mol) | 172.15 |
| MDL Number | MFCD00075539 |
| SMILES | C=CC1=CC=C(C=C1)C(F)(F)F |
| Synonym | 1-trifluoromethyl-4-vinylbenzene,4-trifluoromethyl styrene,4-trifluoromethylstyrene,1-ethenyl-4-trifluoromethyl benzene,4-vinylbenzotrifluoride,1-trifluoromethyl-4-vinyl-benzene,4-trifluoromethystyrene,p-trifluoromethylstyrene,pubchem15485,acmc-1aivr |
| IUPAC Name | 1-ethenyl-4-(trifluoromethyl)benzene |
| InChI Key | CEWDRCQPGANDRS-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3 |
Benzylamine Hydrobromide 98.0+%, TCI America™
CAS: 37488-40-7 Molecular Formula: C7H10BrN Molecular Weight (g/mol): 188.068 MDL Number: MFCD00035434 InChI Key: QJFMCHRSDOLMHA-UHFFFAOYSA-N Synonym: Benzylammonium Bromide PubChem CID: 12998568 IUPAC Name: phenylmethanamine;hydrobromide SMILES: C1=CC=C(C=C1)CN.Br
| PubChem CID | 12998568 |
|---|---|
| CAS | 37488-40-7 |
| Molecular Weight (g/mol) | 188.068 |
| MDL Number | MFCD00035434 |
| SMILES | C1=CC=C(C=C1)CN.Br |
| Synonym | Benzylammonium Bromide |
| IUPAC Name | phenylmethanamine;hydrobromide |
| InChI Key | QJFMCHRSDOLMHA-UHFFFAOYSA-N |
| Molecular Formula | C7H10BrN |
3-Bromo-2-methylbenzoic Acid 98.0+%, TCI America™
CAS: 76006-33-2 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.05 MDL Number: MFCD00270097 InChI Key: BJGKVCKGUBYULR-UHFFFAOYSA-N Synonym: 3-bromo-o-toluic acid,2-methyl-3-bromobenzoic acid,3-bromo-2-methyl-benzoic acid,benzoic acid, 3-bromo-2-methyl,pubchem4717,bromo-methylbenzoic acid,2-bromo-6-carboxytoluene,3-bromo-2-methybenzoic acid,3-bromo-2-methylbenzoicacid,ksc377a4p PubChem CID: 2735590 IUPAC Name: 3-bromo-2-methylbenzoic acid SMILES: CC1=C(C=CC=C1Br)C(O)=O
| PubChem CID | 2735590 |
|---|---|
| CAS | 76006-33-2 |
| Molecular Weight (g/mol) | 215.05 |
| MDL Number | MFCD00270097 |
| SMILES | CC1=C(C=CC=C1Br)C(O)=O |
| Synonym | 3-bromo-o-toluic acid,2-methyl-3-bromobenzoic acid,3-bromo-2-methyl-benzoic acid,benzoic acid, 3-bromo-2-methyl,pubchem4717,bromo-methylbenzoic acid,2-bromo-6-carboxytoluene,3-bromo-2-methybenzoic acid,3-bromo-2-methylbenzoicacid,ksc377a4p |
| IUPAC Name | 3-bromo-2-methylbenzoic acid |
| InChI Key | BJGKVCKGUBYULR-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
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 |
Bis(4-formylphenyl) Ether 98.0+%, TCI America™
CAS: 2215-76-1 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.23 MDL Number: MFCD08276812 InChI Key: GXZZHLULZRMUQC-UHFFFAOYSA-N PubChem CID: 11368119 IUPAC Name: 4-(4-formylphenoxy)benzaldehyde SMILES: O=CC1=CC=C(OC2=CC=C(C=O)C=C2)C=C1
| PubChem CID | 11368119 |
|---|---|
| CAS | 2215-76-1 |
| Molecular Weight (g/mol) | 226.23 |
| MDL Number | MFCD08276812 |
| SMILES | O=CC1=CC=C(OC2=CC=C(C=O)C=C2)C=C1 |
| IUPAC Name | 4-(4-formylphenoxy)benzaldehyde |
| InChI Key | GXZZHLULZRMUQC-UHFFFAOYSA-N |
| Molecular Formula | C14H10O3 |
3-(Trifluoromethyl)styrene (stabilized with HQ) 97.0+%, TCI America™
CAS: 402-24-4 Molecular Formula: C9H7F3 Molecular Weight (g/mol): 172.15 MDL Number: MFCD00075481 InChI Key: ARHOUOIHKWELMD-UHFFFAOYSA-N Synonym: 3-trifluoromethyl styrene,1-trifluoromethyl-3-vinylbenzene,1-ethenyl-3-trifluoromethyl benzene,3-cf3c6h4ch=ch2,3-trifluoromethylstyren,3-vinylbenzotrifluoride,m-trifluoromethylstyrene,pubchem15477,3-trifluoromethylstyrene,1-trifluoromethyl-3-vinyl-benzene PubChem CID: 520986 IUPAC Name: 1-ethenyl-3-(trifluoromethyl)benzene SMILES: FC(F)(F)C1=CC=CC(C=C)=C1
| PubChem CID | 520986 |
|---|---|
| CAS | 402-24-4 |
| Molecular Weight (g/mol) | 172.15 |
| MDL Number | MFCD00075481 |
| SMILES | FC(F)(F)C1=CC=CC(C=C)=C1 |
| Synonym | 3-trifluoromethyl styrene,1-trifluoromethyl-3-vinylbenzene,1-ethenyl-3-trifluoromethyl benzene,3-cf3c6h4ch=ch2,3-trifluoromethylstyren,3-vinylbenzotrifluoride,m-trifluoromethylstyrene,pubchem15477,3-trifluoromethylstyrene,1-trifluoromethyl-3-vinyl-benzene |
| IUPAC Name | 1-ethenyl-3-(trifluoromethyl)benzene |
| InChI Key | ARHOUOIHKWELMD-UHFFFAOYSA-N |
| Molecular Formula | C9H7F3 |
4-Bromo-3-nitrobenzaldehyde 98.0+%, TCI America™
CAS: 163596-75-6 Molecular Formula: C7H4BrNO3 Molecular Weight (g/mol): 230.017 MDL Number: MFCD00204031 InChI Key: SAFSVELFSYQXOV-UHFFFAOYSA-N PubChem CID: 808792 IUPAC Name: 4-bromo-3-nitrobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)[N+](=O)[O-])Br
| PubChem CID | 808792 |
|---|---|
| CAS | 163596-75-6 |
| Molecular Weight (g/mol) | 230.017 |
| MDL Number | MFCD00204031 |
| SMILES | C1=CC(=C(C=C1C=O)[N+](=O)[O-])Br |
| IUPAC Name | 4-bromo-3-nitrobenzaldehyde |
| InChI Key | SAFSVELFSYQXOV-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrNO3 |