Benzene and substituted derivatives
Filtered Search Results
p-Toluenesulfonic acid, sodium salt
CAS: 657-84-1 Molecular Formula: C7H7NaO3S Molecular Weight (g/mol): 194.18 MDL Number: MFCD00798566,MFCD00064388 InChI Key: KVCGISUBCHHTDD-UHFFFAOYSA-M Synonym: sodium p-toluenesulfonate,sodium 4-methylbenzenesulfonate,sodium tosylate,p-toluenesulfonic acid sodium salt,sodium toluenesulfonate,sodium toluenesulphonate,tosylate, sodium,naxonate hydrotrope,cyclophil sts 70,eltesol st 34 PubChem CID: 3720192 IUPAC Name: sodium;4-methylbenzenesulfonate SMILES: [Na+].CC1=CC=C(C=C1)S([O-])(=O)=O
| PubChem CID | 3720192 |
|---|---|
| CAS | 657-84-1 |
| Molecular Weight (g/mol) | 194.18 |
| MDL Number | MFCD00798566,MFCD00064388 |
| SMILES | [Na+].CC1=CC=C(C=C1)S([O-])(=O)=O |
| Synonym | sodium p-toluenesulfonate,sodium 4-methylbenzenesulfonate,sodium tosylate,p-toluenesulfonic acid sodium salt,sodium toluenesulfonate,sodium toluenesulphonate,tosylate, sodium,naxonate hydrotrope,cyclophil sts 70,eltesol st 34 |
| IUPAC Name | sodium;4-methylbenzenesulfonate |
| InChI Key | KVCGISUBCHHTDD-UHFFFAOYSA-M |
| Molecular Formula | C7H7NaO3S |
(Methoxymethyl)triphenylphosphonium chloride, 98+%
CAS: 4009-98-7 Molecular Formula: C20H20ClOP Molecular Weight (g/mol): 342.80 MDL Number: MFCD00011800 InChI Key: SJFNDMHZXCUXSA-UHFFFAOYSA-M Synonym: methoxymethyl triphenylphosphonium chloride,methoxymethyl triphenylphosphanium chloride,phosphonium, methoxymethyl triphenyl-, chloride,methoxymethyltriphenylphosphonium chloride,methoxymethyl-triphenylphosphonium chloride,methoxymethyl-triphenyl-phosphonium chloride,triphenyl methoxymethyl phosphonium chloride,methoxy methyl triphenyl phosphonium chloride PubChem CID: 2723798 IUPAC Name: methoxymethyl(triphenyl)phosphanium;chloride SMILES: [Cl-].COC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2723798 |
|---|---|
| CAS | 4009-98-7 |
| Molecular Weight (g/mol) | 342.80 |
| MDL Number | MFCD00011800 |
| SMILES | [Cl-].COC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | methoxymethyl triphenylphosphonium chloride,methoxymethyl triphenylphosphanium chloride,phosphonium, methoxymethyl triphenyl-, chloride,methoxymethyltriphenylphosphonium chloride,methoxymethyl-triphenylphosphonium chloride,methoxymethyl-triphenyl-phosphonium chloride,triphenyl methoxymethyl phosphonium chloride,methoxy methyl triphenyl phosphonium chloride |
| IUPAC Name | methoxymethyl(triphenyl)phosphanium;chloride |
| InChI Key | SJFNDMHZXCUXSA-UHFFFAOYSA-M |
| Molecular Formula | C20H20ClOP |
2-Chlorobenzyl bromide, 97%
CAS: 611-17-6 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.479 MDL Number: MFCD00000566 InChI Key: PURSZYWBIQIANP-UHFFFAOYSA-N Synonym: 2-chlorobenzyl bromide,1-bromomethyl-2-chlorobenzene,o-chlorobenzyl bromide,2-chlorobenzylbromide,benzene, 1-bromomethyl-2-chloro,alpha-bromo-2-chlorotoluene,unii-cev23h8uv4,2chlorobenzyl bromide,alpha-bromo-o-chlorotoluene,cev23h8uv4 PubChem CID: 11905 IUPAC Name: 1-(bromomethyl)-2-chlorobenzene SMILES: C1=CC=C(C(=C1)CBr)Cl
| PubChem CID | 11905 |
|---|---|
| CAS | 611-17-6 |
| Molecular Weight (g/mol) | 205.479 |
| MDL Number | MFCD00000566 |
| SMILES | C1=CC=C(C(=C1)CBr)Cl |
| Synonym | 2-chlorobenzyl bromide,1-bromomethyl-2-chlorobenzene,o-chlorobenzyl bromide,2-chlorobenzylbromide,benzene, 1-bromomethyl-2-chloro,alpha-bromo-2-chlorotoluene,unii-cev23h8uv4,2chlorobenzyl bromide,alpha-bromo-o-chlorotoluene,cev23h8uv4 |
| IUPAC Name | 1-(bromomethyl)-2-chlorobenzene |
| InChI Key | PURSZYWBIQIANP-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrCl |
2-Fluorobenzonitrile, 99%
CAS: 394-47-8 Molecular Formula: C7H4FN Molecular Weight (g/mol): 121.11 MDL Number: MFCD00001773 InChI Key: GDHXJNRAJRCGMX-UHFFFAOYSA-N Synonym: o-fluorobenzonitrile,benzonitrile, 2-fluoro,o-cyanofluorobenzene,2-fluorobenzonitril,2-cyanofluorobenzene,benzonitrile, o-fluoro,fluorobenzonitrile,2-fluorobenzenecarbonitrile,2-fluoro-benzonitrile,1-cyano-2-fluorobenzene PubChem CID: 67855 IUPAC Name: 2-fluorobenzonitrile SMILES: FC1=CC=CC=C1C#N
| PubChem CID | 67855 |
|---|---|
| CAS | 394-47-8 |
| Molecular Weight (g/mol) | 121.11 |
| MDL Number | MFCD00001773 |
| SMILES | FC1=CC=CC=C1C#N |
| Synonym | o-fluorobenzonitrile,benzonitrile, 2-fluoro,o-cyanofluorobenzene,2-fluorobenzonitril,2-cyanofluorobenzene,benzonitrile, o-fluoro,fluorobenzonitrile,2-fluorobenzenecarbonitrile,2-fluoro-benzonitrile,1-cyano-2-fluorobenzene |
| IUPAC Name | 2-fluorobenzonitrile |
| InChI Key | GDHXJNRAJRCGMX-UHFFFAOYSA-N |
| Molecular Formula | C7H4FN |
Selectophore™ 2-Nitrophenyl octyl ether, ≥99.0%, MilliporeSigma™ Supelco™
MDL Number: MFCD00014693 Synonym: 1-Nitro-2-octyloxybenzene
| MDL Number | MFCD00014693 |
|---|---|
| Synonym | 1-Nitro-2-octyloxybenzene |
Tri(o-tolyl)phosphine, 98+%
CAS: 6163-58-2 Molecular Formula: C21H21P Molecular Weight (g/mol): 304.373 MDL Number: MFCD00008514 InChI Key: COIOYMYWGDAQPM-UHFFFAOYSA-N Synonym: tri-o-tolylphosphine,tri o-tolyl phosphine,tris 2-methylphenyl phosphine,tris 2-methylphenyl phosphane,phosphine, tris 2-methylphenyl,tris o-tolyl phosphine,tri-ortho-toylphosphine,tri-ortho-tolylphosphine,phosphine, tri-o-tolyl,tri 2-methylphenyl phosphine PubChem CID: 80271 IUPAC Name: tris(2-methylphenyl)phosphane SMILES: CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C
| PubChem CID | 80271 |
|---|---|
| CAS | 6163-58-2 |
| Molecular Weight (g/mol) | 304.373 |
| MDL Number | MFCD00008514 |
| SMILES | CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C |
| Synonym | tri-o-tolylphosphine,tri o-tolyl phosphine,tris 2-methylphenyl phosphine,tris 2-methylphenyl phosphane,phosphine, tris 2-methylphenyl,tris o-tolyl phosphine,tri-ortho-toylphosphine,tri-ortho-tolylphosphine,phosphine, tri-o-tolyl,tri 2-methylphenyl phosphine |
| IUPAC Name | tris(2-methylphenyl)phosphane |
| InChI Key | COIOYMYWGDAQPM-UHFFFAOYSA-N |
| Molecular Formula | C21H21P |
2,6-Dibromo-4-methylaniline, 98+%
CAS: 6968-24-7 Molecular Formula: C7H7Br2N Molecular Weight (g/mol): 264.948 MDL Number: MFCD00007641 InChI Key: ATDIROHVRVQMRO-UHFFFAOYSA-N Synonym: 2,6-dibromo-p-toluidine,3,5-dibromo-4-aminotoluene,benzenamine, 2,6-dibromo-4-methyl,2,6-dibromo-4-methyl aniline,2,6-dibromo-4-methyl-phenylamine,2,6-dibromo-4-methylphenylamine,2,6-dibromo-4-methyl-benzenamine,pubchem2334,acmc-209oag,2,6-dibromo-p-toludine PubChem CID: 81427 IUPAC Name: 2,6-dibromo-4-methylaniline SMILES: CC1=CC(=C(C(=C1)Br)N)Br
| PubChem CID | 81427 |
|---|---|
| CAS | 6968-24-7 |
| Molecular Weight (g/mol) | 264.948 |
| MDL Number | MFCD00007641 |
| SMILES | CC1=CC(=C(C(=C1)Br)N)Br |
| Synonym | 2,6-dibromo-p-toluidine,3,5-dibromo-4-aminotoluene,benzenamine, 2,6-dibromo-4-methyl,2,6-dibromo-4-methyl aniline,2,6-dibromo-4-methyl-phenylamine,2,6-dibromo-4-methylphenylamine,2,6-dibromo-4-methyl-benzenamine,pubchem2334,acmc-209oag,2,6-dibromo-p-toludine |
| IUPAC Name | 2,6-dibromo-4-methylaniline |
| InChI Key | ATDIROHVRVQMRO-UHFFFAOYSA-N |
| Molecular Formula | C7H7Br2N |
3-(1H-Pyrazol-1-ylmethyl)benzylamine, 97%, Thermo Scientific™
CAS: 562803-76-3 Molecular Formula: C11H13N3 Molecular Weight (g/mol): 187.246 MDL Number: MFCD08572164 InChI Key: XKFHMAZBNKKNMT-UHFFFAOYSA-N Synonym: 3-1h-pyrazol-1-ylmethyl benzylamine,3-1h-pyrazol-1-ylmethyl phenyl methanamine,1-3-aminomethyl benzyl-1h-pyrazole,3-pyrazol-1-ylmethyl phenyl methanamine,1-3-pyrazol-1-ylmethyl phenyl methanamine,3-pyrazolylmethyl phenyl methylamine,3-1h-pyrazol-1-yl methyl benzylamine,3-1h-pyrazole-1-ylmethyl benzenemethanamine,benzenemethanamine,3-1h-pyrazol-1-ylmethyl,3-1h-pyrazol-1-yl methyl phenyl methanamine PubChem CID: 16640564 IUPAC Name: [3-(pyrazol-1-ylmethyl)phenyl]methanamine SMILES: C1=CC(=CC(=C1)CN)CN2C=CC=N2
| PubChem CID | 16640564 |
|---|---|
| CAS | 562803-76-3 |
| Molecular Weight (g/mol) | 187.246 |
| MDL Number | MFCD08572164 |
| SMILES | C1=CC(=CC(=C1)CN)CN2C=CC=N2 |
| Synonym | 3-1h-pyrazol-1-ylmethyl benzylamine,3-1h-pyrazol-1-ylmethyl phenyl methanamine,1-3-aminomethyl benzyl-1h-pyrazole,3-pyrazol-1-ylmethyl phenyl methanamine,1-3-pyrazol-1-ylmethyl phenyl methanamine,3-pyrazolylmethyl phenyl methylamine,3-1h-pyrazol-1-yl methyl benzylamine,3-1h-pyrazole-1-ylmethyl benzenemethanamine,benzenemethanamine,3-1h-pyrazol-1-ylmethyl,3-1h-pyrazol-1-yl methyl phenyl methanamine |
| IUPAC Name | [3-(pyrazol-1-ylmethyl)phenyl]methanamine |
| InChI Key | XKFHMAZBNKKNMT-UHFFFAOYSA-N |
| Molecular Formula | C11H13N3 |
3-Bromo-4-chloroanisole, 98%
CAS: 2732-80-1 Molecular Formula: C7H6BrClO Molecular Weight (g/mol): 221.48 MDL Number: MFCD00070739 InChI Key: SQHMXVXKKCXIGN-UHFFFAOYSA-N Synonym: 3-bromo-4-chloroanisole,4-chloro-3-bromoanisole,2-chloro-5-methoxybromobenzene,benzene, 2-bromo-1-chloro-4-methoxy,3-bromo-4-chlorophenyl methyl ether,pubchem4555,acmc-1clwv,3-bromo-4-chloroamizole,ksc497k1d,2-chloro-5-methoxy-bromobenzene PubChem CID: 24212081 IUPAC Name: 2-bromo-1-chloro-4-methoxybenzene SMILES: COC1=CC(Br)=C(Cl)C=C1
| PubChem CID | 24212081 |
|---|---|
| CAS | 2732-80-1 |
| Molecular Weight (g/mol) | 221.48 |
| MDL Number | MFCD00070739 |
| SMILES | COC1=CC(Br)=C(Cl)C=C1 |
| Synonym | 3-bromo-4-chloroanisole,4-chloro-3-bromoanisole,2-chloro-5-methoxybromobenzene,benzene, 2-bromo-1-chloro-4-methoxy,3-bromo-4-chlorophenyl methyl ether,pubchem4555,acmc-1clwv,3-bromo-4-chloroamizole,ksc497k1d,2-chloro-5-methoxy-bromobenzene |
| IUPAC Name | 2-bromo-1-chloro-4-methoxybenzene |
| InChI Key | SQHMXVXKKCXIGN-UHFFFAOYSA-N |
| Molecular Formula | C7H6BrClO |
Benzyl (S)-(+)-glycidyl ether, 98+%
CAS: 16495-13-9 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00054428 InChI Key: QNYBOILAKBSWFG-SNVBAGLBSA-N Synonym: s-+-benzyl glycidyl ether,s-benzyloxymethyl-oxirane,benzyl s-+-glycidyl ether,s-2-benzyloxy methyl oxirane,2s-2-benzyloxy methyl oxirane,s-o-benzylglycidol,s-benzyl glycidyl ether,+-benzyl glycidyl ether,s-benzyloxymethyl oxirane PubChem CID: 146296 SMILES: C(OCC1=CC=CC=C1)[C@@H]1CO1
| PubChem CID | 146296 |
|---|---|
| CAS | 16495-13-9 |
| Molecular Weight (g/mol) | 164.20 |
| MDL Number | MFCD00054428 |
| SMILES | C(OCC1=CC=CC=C1)[C@@H]1CO1 |
| Synonym | s-+-benzyl glycidyl ether,s-benzyloxymethyl-oxirane,benzyl s-+-glycidyl ether,s-2-benzyloxy methyl oxirane,2s-2-benzyloxy methyl oxirane,s-o-benzylglycidol,s-benzyl glycidyl ether,+-benzyl glycidyl ether,s-benzyloxymethyl oxirane |
| InChI Key | QNYBOILAKBSWFG-SNVBAGLBSA-N |
| Molecular Formula | C10H12O2 |
4-Methoxy-3-(trifluoromethyl)benzeneboronic acid, 98%, Thermo Scientific Chemicals
CAS: 149507-36-8 Molecular Formula: C8H8BF3O3 Molecular Weight (g/mol): 219.954 MDL Number: MFCD07363790 InChI Key: BUSMBMGODABSIN-UHFFFAOYSA-N Synonym: 4-methoxy-3-trifluoromethyl phenyl boronic acid,4-methoxy-3-trifluoromethylphenylboronic acid,3-trifluoromethyl-4-methoxy-phenylboronic acid,4-methoxy-3-trifluoromethylphenyl boronic acid,4-methoxy-3-trifluoromethyl benzeneboronic acid,4-methoxy-3-trifluoromethyl phenylboronic acid,boronic acid, 4-methoxy-3-trifluoromethyl phenyl,acmc-1c5ik PubChem CID: 17750052 IUPAC Name: [4-methoxy-3-(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=CC(=C(C=C1)OC)C(F)(F)F)(O)O
| PubChem CID | 17750052 |
|---|---|
| CAS | 149507-36-8 |
| Molecular Weight (g/mol) | 219.954 |
| MDL Number | MFCD07363790 |
| SMILES | B(C1=CC(=C(C=C1)OC)C(F)(F)F)(O)O |
| Synonym | 4-methoxy-3-trifluoromethyl phenyl boronic acid,4-methoxy-3-trifluoromethylphenylboronic acid,3-trifluoromethyl-4-methoxy-phenylboronic acid,4-methoxy-3-trifluoromethylphenyl boronic acid,4-methoxy-3-trifluoromethyl benzeneboronic acid,4-methoxy-3-trifluoromethyl phenylboronic acid,boronic acid, 4-methoxy-3-trifluoromethyl phenyl,acmc-1c5ik |
| IUPAC Name | [4-methoxy-3-(trifluoromethyl)phenyl]boronic acid |
| InChI Key | BUSMBMGODABSIN-UHFFFAOYSA-N |
| Molecular Formula | C8H8BF3O3 |
4-Methoxyphenylhydrazine hydrochloride, 98%
CAS: 19501-58-7 Molecular Formula: C7H10N2O·ClH Molecular Weight (g/mol): 174.63 MDL Number: MFCD00012945 InChI Key: FQHCPFMTXFJZJS-UHFFFAOYSA-N Synonym: 4-methoxyphenylhydrazine hydrochloride,4-methoxyphenyl hydrazine hydrochloride,4-anisylhydrazine hydrochloride,4-methoxyphenylhydrazine hcl,p-methoxyphenylhydrazine hydrochloride,4-methoxyphenylhydrazine.hcl,1-4-methoxyphenyl hydrazine hydrochloride,p-anisylhydrazine hydrochloride,4-hydrazinoanisole hydrochloride,hydrazine, 4-methoxyphenyl-, monohydrochloride PubChem CID: 2723904 IUPAC Name: (4-methoxyphenyl)hydrazine;hydrochloride SMILES: COC1=CC=C(C=C1)NN.Cl
| PubChem CID | 2723904 |
|---|---|
| CAS | 19501-58-7 |
| Molecular Weight (g/mol) | 174.63 |
| MDL Number | MFCD00012945 |
| SMILES | COC1=CC=C(C=C1)NN.Cl |
| Synonym | 4-methoxyphenylhydrazine hydrochloride,4-methoxyphenyl hydrazine hydrochloride,4-anisylhydrazine hydrochloride,4-methoxyphenylhydrazine hcl,p-methoxyphenylhydrazine hydrochloride,4-methoxyphenylhydrazine.hcl,1-4-methoxyphenyl hydrazine hydrochloride,p-anisylhydrazine hydrochloride,4-hydrazinoanisole hydrochloride,hydrazine, 4-methoxyphenyl-, monohydrochloride |
| IUPAC Name | (4-methoxyphenyl)hydrazine;hydrochloride |
| InChI Key | FQHCPFMTXFJZJS-UHFFFAOYSA-N |
| Molecular Formula | C7H10N2O·ClH |
Tamoxifen, MP Biomedicals
CAS: 10540-29-1 Molecular Formula: C26H29NO Molecular Weight (g/mol): 371.52 MDL Number: MFCD00010454 InChI Key: NKANXQFJJICGDU-QPLCGJKRSA-N SMILES: CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
| CAS | 10540-29-1 |
|---|---|
| Molecular Weight (g/mol) | 371.52 |
| MDL Number | MFCD00010454 |
| SMILES | CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 |
| InChI Key | NKANXQFJJICGDU-QPLCGJKRSA-N |
| Molecular Formula | C26H29NO |
p-Dimethylamino-Benzaldehyde, ACS, MP Biomedicals™
CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1
| PubChem CID | 7479 |
|---|---|
| CAS | 100-10-7 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD00003381 |
| SMILES | CN(C)C1=CC=C(C=O)C=C1 |
| Synonym | 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal |
| IUPAC Name | 4-(dimethylamino)benzaldehyde |
| InChI Key | BGNGWHSBYQYVRX-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
{2-[3-(Dimethylamino)propoxy]phenyl}methanol, 97%, Thermo Scientific™
CAS: 14573-97-8 Molecular Formula: C12H19NO2 Molecular Weight (g/mol): 209.29 MDL Number: MFCD09064995 InChI Key: KEQGOXOOPXJVFM-UHFFFAOYSA-N Synonym: 2-3-dimethylamino propoxy phenyl methanol,2-3-dimethylamino propoxy phenyl,benzenemethanol,2-3-dimethylamino propoxy,2-3-dimethylamino propoxy phenyl methan-1-ol PubChem CID: 23401802 IUPAC Name: [2-[3-(dimethylamino)propoxy]phenyl]methanol SMILES: CN(C)CCCOC1=CC=CC=C1CO
| PubChem CID | 23401802 |
|---|---|
| CAS | 14573-97-8 |
| Molecular Weight (g/mol) | 209.29 |
| MDL Number | MFCD09064995 |
| SMILES | CN(C)CCCOC1=CC=CC=C1CO |
| Synonym | 2-3-dimethylamino propoxy phenyl methanol,2-3-dimethylamino propoxy phenyl,benzenemethanol,2-3-dimethylamino propoxy,2-3-dimethylamino propoxy phenyl methan-1-ol |
| IUPAC Name | [2-[3-(dimethylamino)propoxy]phenyl]methanol |
| InChI Key | KEQGOXOOPXJVFM-UHFFFAOYSA-N |
| Molecular Formula | C12H19NO2 |