Benzene and substituted derivatives
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2-Phenoxybenzeneboronic acid, 98%
CAS: 108238-09-1 Molecular Formula: C12H11BO3 Molecular Weight (g/mol): 214.03 MDL Number: MFCD01001592 InChI Key: AVOWPOFIQZSVGV-UHFFFAOYSA-N Synonym: 2-phenoxybenzeneboronic acid,2-phenoxyphenyl boronic acid,2-phenoxyphenyl boranediol,2-phenoxy phenylboronic acid,boronic acid, 2-phenoxyphenyl,pubchem9521,acmc-1bnrk,ksc174e3r,2-phenoxy-phenyl boronic acid,2-phenoxyphenylboronicacid PubChem CID: 2773559 IUPAC Name: (2-phenoxyphenyl)boronic acid SMILES: OB(O)C1=CC=CC=C1OC1=CC=CC=C1
| PubChem CID | 2773559 |
|---|---|
| CAS | 108238-09-1 |
| Molecular Weight (g/mol) | 214.03 |
| MDL Number | MFCD01001592 |
| SMILES | OB(O)C1=CC=CC=C1OC1=CC=CC=C1 |
| Synonym | 2-phenoxybenzeneboronic acid,2-phenoxyphenyl boronic acid,2-phenoxyphenyl boranediol,2-phenoxy phenylboronic acid,boronic acid, 2-phenoxyphenyl,pubchem9521,acmc-1bnrk,ksc174e3r,2-phenoxy-phenyl boronic acid,2-phenoxyphenylboronicacid |
| IUPAC Name | (2-phenoxyphenyl)boronic acid |
| InChI Key | AVOWPOFIQZSVGV-UHFFFAOYSA-N |
| Molecular Formula | C12H11BO3 |
2-Fluoro-5-formylphenylboronic acid pinacol ester, 95%
CAS: 1112208-82-8 Molecular Formula: C13H16BFO3 Molecular Weight (g/mol): 250.08 MDL Number: MFCD11867877 InChI Key: WHYMLQVABFAGEK-UHFFFAOYSA-N Synonym: 2-fluoro-5-formylphenylboronic acid pinacol ester,4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-fluoro-5-formylphenylboronic acid, pinacol ester,2-fluoro-5-formylphenyl boronic acid pinacol ester,2-fluoro-5-formylbenzeneboronic acid pinacol ester,3-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl-4-fluorobenzaldehyde,4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-benzaldehyde,benzaldehyde, 4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl PubChem CID: 46738018 IUPAC Name: 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde SMILES: CC1(C)OB(OC1(C)C)C1=C(F)C=CC(C=O)=C1
| PubChem CID | 46738018 |
|---|---|
| CAS | 1112208-82-8 |
| Molecular Weight (g/mol) | 250.08 |
| MDL Number | MFCD11867877 |
| SMILES | CC1(C)OB(OC1(C)C)C1=C(F)C=CC(C=O)=C1 |
| Synonym | 2-fluoro-5-formylphenylboronic acid pinacol ester,4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-fluoro-5-formylphenylboronic acid, pinacol ester,2-fluoro-5-formylphenyl boronic acid pinacol ester,2-fluoro-5-formylbenzeneboronic acid pinacol ester,3-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl-4-fluorobenzaldehyde,4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-benzaldehyde,benzaldehyde, 4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl |
| IUPAC Name | 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
| InChI Key | WHYMLQVABFAGEK-UHFFFAOYSA-N |
| Molecular Formula | C13H16BFO3 |
p-Toluenesulfonylmethyl isocyanide, 97%
CAS: 36635-61-7 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.24 MDL Number: MFCD00000005 InChI Key: CFOAUYCPAUGDFF-UHFFFAOYSA-N Synonym: tosylmethyl isocyanide,tosmic,p-toluenesulfonylmethyl isocyanide,4-toluenesulphonylmethyl isocyanide,4-toluenesulfonylmethyl isocyanide,tosylmethylisocyanide,1-isocyanomethylsulfonyl-4-methylbenzene,p-tolylsulfonyl methyl isocyanide,unii-c35fd6olh8,1-isocyanomethyl sulfonyl-4-methylbenzene PubChem CID: 161915 IUPAC Name: 1-(isocyanomethylsulfonyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-]
| PubChem CID | 161915 |
|---|---|
| CAS | 36635-61-7 |
| Molecular Weight (g/mol) | 195.24 |
| MDL Number | MFCD00000005 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-] |
| Synonym | tosylmethyl isocyanide,tosmic,p-toluenesulfonylmethyl isocyanide,4-toluenesulphonylmethyl isocyanide,4-toluenesulfonylmethyl isocyanide,tosylmethylisocyanide,1-isocyanomethylsulfonyl-4-methylbenzene,p-tolylsulfonyl methyl isocyanide,unii-c35fd6olh8,1-isocyanomethyl sulfonyl-4-methylbenzene |
| IUPAC Name | 1-(isocyanomethylsulfonyl)-4-methylbenzene |
| InChI Key | CFOAUYCPAUGDFF-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2S |
2-Amino-5-chlorobenzoic acid, 98%
CAS: 635-21-2 Molecular Formula: C7H6ClNO2 Molecular Weight (g/mol): 171.58 MDL Number: MFCD00007838 InChI Key: IFXKXCLVKQVVDI-UHFFFAOYSA-N Synonym: 5-chloroanthranilic acid,5-chloro-2-aminobenzoic acid,benzoic acid, 2-amino-5-chloro,anthranilic acid, 5-chloro,2-amino-5-chloro-benzoic acid,unii-z2y66jmi31,2-carboxy-4-chloroaniline,chembl36767,5-amino-3-carboxy-1-chlorobenzene,2-amino-5-chlorobenzoicacid PubChem CID: 12476 IUPAC Name: 2-amino-5-chlorobenzoic acid SMILES: C1=CC(=C(C=C1Cl)C(=O)O)N
| PubChem CID | 12476 |
|---|---|
| CAS | 635-21-2 |
| Molecular Weight (g/mol) | 171.58 |
| MDL Number | MFCD00007838 |
| SMILES | C1=CC(=C(C=C1Cl)C(=O)O)N |
| Synonym | 5-chloroanthranilic acid,5-chloro-2-aminobenzoic acid,benzoic acid, 2-amino-5-chloro,anthranilic acid, 5-chloro,2-amino-5-chloro-benzoic acid,unii-z2y66jmi31,2-carboxy-4-chloroaniline,chembl36767,5-amino-3-carboxy-1-chlorobenzene,2-amino-5-chlorobenzoicacid |
| IUPAC Name | 2-amino-5-chlorobenzoic acid |
| InChI Key | IFXKXCLVKQVVDI-UHFFFAOYSA-N |
| Molecular Formula | C7H6ClNO2 |
LiChropur™ N-(2,4-Dinitro-5-fluorophenyl)-L-alaninamide, For chiral derivatization, ≥99.0%, MilliporeSigma™ Supelco™
MDL Number: MFCD00042049 Synonym: FDAA; Marfey′s reagent
| MDL Number | MFCD00042049 |
|---|---|
| Synonym | FDAA; Marfey′s reagent |
2-Iodoanisole, 99%
CAS: 529-28-2 Molecular Formula: C7H7IO Molecular Weight (g/mol): 234.036 MDL Number: MFCD00001039 InChI Key: DVQWNQBEUKXONL-UHFFFAOYSA-N Synonym: 2-iodoanisole,o-iodoanisole,benzene, 1-iodo-2-methoxy,iodoanisole,2-methoxyiodobenzene,o-anisyl iodide,2-iodophenol methyl ether,anisole, o-iodo,2-iodophenyl methyl ether,1-iodo-2-methoxy-benzene PubChem CID: 68257 ChEBI: CHEBI:16355 IUPAC Name: 1-iodo-2-methoxybenzene SMILES: COC1=CC=CC=C1I
| PubChem CID | 68257 |
|---|---|
| CAS | 529-28-2 |
| Molecular Weight (g/mol) | 234.036 |
| ChEBI | CHEBI:16355 |
| MDL Number | MFCD00001039 |
| SMILES | COC1=CC=CC=C1I |
| Synonym | 2-iodoanisole,o-iodoanisole,benzene, 1-iodo-2-methoxy,iodoanisole,2-methoxyiodobenzene,o-anisyl iodide,2-iodophenol methyl ether,anisole, o-iodo,2-iodophenyl methyl ether,1-iodo-2-methoxy-benzene |
| IUPAC Name | 1-iodo-2-methoxybenzene |
| InChI Key | DVQWNQBEUKXONL-UHFFFAOYSA-N |
| Molecular Formula | C7H7IO |
4-Bromo-2-(trifluoromethyl)phenol, 99%
CAS: 50824-04-9 Molecular Formula: C7H4BrF3O Molecular Weight (g/mol): 241.007 MDL Number: MFCD05668981 InChI Key: PDPGERGWEOJVDC-UHFFFAOYSA-N Synonym: 4-bromo-2-trifluoromethyl phenol,4-bromo-2-trifluoromethyl benzenol,5-bromo-2-hydroxybenzotrifluoride,o-cresol, 4-bromo-alpha,alpha,alpha-trifluoro,4-bromo-2-trifluoromethyl-phenol,phenol, 4-bromo-2-trifluoromethyl,pubchem18454,acmc-209kqd,bromotrifluoromethylbenzenol,ksc490k9d PubChem CID: 142784 IUPAC Name: 4-bromo-2-(trifluoromethyl)phenol SMILES: C1=CC(=C(C=C1Br)C(F)(F)F)O
| PubChem CID | 142784 |
|---|---|
| CAS | 50824-04-9 |
| Molecular Weight (g/mol) | 241.007 |
| MDL Number | MFCD05668981 |
| SMILES | C1=CC(=C(C=C1Br)C(F)(F)F)O |
| Synonym | 4-bromo-2-trifluoromethyl phenol,4-bromo-2-trifluoromethyl benzenol,5-bromo-2-hydroxybenzotrifluoride,o-cresol, 4-bromo-alpha,alpha,alpha-trifluoro,4-bromo-2-trifluoromethyl-phenol,phenol, 4-bromo-2-trifluoromethyl,pubchem18454,acmc-209kqd,bromotrifluoromethylbenzenol,ksc490k9d |
| IUPAC Name | 4-bromo-2-(trifluoromethyl)phenol |
| InChI Key | PDPGERGWEOJVDC-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrF3O |
Pentafluorobenzonitrile, 99%
CAS: 773-82-0 Molecular Formula: C7F5N Molecular Weight (g/mol): 193.07 InChI Key: YXWJGZQOGXGSSC-UHFFFAOYSA-N Synonym: pentafluorobenzonitrile,perfluorobenzonitrile,benzonitrile, pentafluoro,pentafluorocyanobenzene,benzonitrile, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro benzonitrile,2,3,4,5,6-pentafluorobenzenecarbonitrile,cyanopentafluorobenzene,pubchem2319,acmc-209p9k PubChem CID: 69882 IUPAC Name: 2,3,4,5,6-pentafluorobenzonitrile SMILES: C(#N)C1=C(C(=C(C(=C1F)F)F)F)F
| PubChem CID | 69882 |
|---|---|
| CAS | 773-82-0 |
| Molecular Weight (g/mol) | 193.07 |
| SMILES | C(#N)C1=C(C(=C(C(=C1F)F)F)F)F |
| Synonym | pentafluorobenzonitrile,perfluorobenzonitrile,benzonitrile, pentafluoro,pentafluorocyanobenzene,benzonitrile, 2,3,4,5,6-pentafluoro,2,3,4,5,6-pentafluoro benzonitrile,2,3,4,5,6-pentafluorobenzenecarbonitrile,cyanopentafluorobenzene,pubchem2319,acmc-209p9k |
| IUPAC Name | 2,3,4,5,6-pentafluorobenzonitrile |
| InChI Key | YXWJGZQOGXGSSC-UHFFFAOYSA-N |
| Molecular Formula | C7F5N |
Mesitaldehyde, 97%
CAS: 487-68-3 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.21 MDL Number: MFCD00003341 InChI Key: HIKRJHFHGKZKRI-UHFFFAOYSA-N Synonym: mesitaldehyde,mesitylaldehyde,benzaldehyde, 2,4,6-trimethyl,2-mesitylenecarboxaldehyde,mesitylenecarboxaldehyde,2-formylmesitylene,2,4,6-trimethyl-benzaldehyde,isodural,mesityl aldehyde,b-isodural PubChem CID: 10254 IUPAC Name: 2,4,6-trimethylbenzaldehyde SMILES: CC1=CC(C)=C(C=O)C(C)=C1
| PubChem CID | 10254 |
|---|---|
| CAS | 487-68-3 |
| Molecular Weight (g/mol) | 148.21 |
| MDL Number | MFCD00003341 |
| SMILES | CC1=CC(C)=C(C=O)C(C)=C1 |
| Synonym | mesitaldehyde,mesitylaldehyde,benzaldehyde, 2,4,6-trimethyl,2-mesitylenecarboxaldehyde,mesitylenecarboxaldehyde,2-formylmesitylene,2,4,6-trimethyl-benzaldehyde,isodural,mesityl aldehyde,b-isodural |
| IUPAC Name | 2,4,6-trimethylbenzaldehyde |
| InChI Key | HIKRJHFHGKZKRI-UHFFFAOYSA-N |
| Molecular Formula | C10H12O |
4-Iodobenzaldehyde, 97+%
CAS: 15164-44-0 Molecular Formula: C7H5IO Molecular Weight (g/mol): 232.02 MDL Number: MFCD00039576 InChI Key: NIEBHDXUIJSHSL-UHFFFAOYSA-N Synonym: p-iodobenzaldehyde,benzaldehyde, 4-iodo,4-iodo-benzaldehyde,iodobenzenecarbaldehyde,4-iodo benzaldehyde,pubchem5349,acmc-1bpp9,intermediates-zcf02160,4-iodobenzaldehyde,ksc181a1r PubChem CID: 96657 IUPAC Name: 4-iodobenzaldehyde SMILES: IC1=CC=C(C=O)C=C1
| PubChem CID | 96657 |
|---|---|
| CAS | 15164-44-0 |
| Molecular Weight (g/mol) | 232.02 |
| MDL Number | MFCD00039576 |
| SMILES | IC1=CC=C(C=O)C=C1 |
| Synonym | p-iodobenzaldehyde,benzaldehyde, 4-iodo,4-iodo-benzaldehyde,iodobenzenecarbaldehyde,4-iodo benzaldehyde,pubchem5349,acmc-1bpp9,intermediates-zcf02160,4-iodobenzaldehyde,ksc181a1r |
| IUPAC Name | 4-iodobenzaldehyde |
| InChI Key | NIEBHDXUIJSHSL-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO |
4-Hydrazinobenzoic acid, 97%
CAS: 619-67-0 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.153 MDL Number: MFCD00007581 InChI Key: PCNFLKVWBDNNOW-UHFFFAOYSA-N Synonym: 4-hydrazinobenzoic acid,p-hydrazinobenzoic acid,benzoic acid, 4-hydrazino,p-carboxyphenylhydrazine,4-carboxyphenyl hydrazine,4-carboxyphenylhydrazine,4-hydrazino benzoic acid,benzoic acid, p-hydrazino,unii-b1r368je7o,ccris 7911 PubChem CID: 12089 IUPAC Name: 4-hydrazinylbenzoic acid SMILES: C1=CC(=CC=C1C(=O)O)NN
| PubChem CID | 12089 |
|---|---|
| CAS | 619-67-0 |
| Molecular Weight (g/mol) | 152.153 |
| MDL Number | MFCD00007581 |
| SMILES | C1=CC(=CC=C1C(=O)O)NN |
| Synonym | 4-hydrazinobenzoic acid,p-hydrazinobenzoic acid,benzoic acid, 4-hydrazino,p-carboxyphenylhydrazine,4-carboxyphenyl hydrazine,4-carboxyphenylhydrazine,4-hydrazino benzoic acid,benzoic acid, p-hydrazino,unii-b1r368je7o,ccris 7911 |
| IUPAC Name | 4-hydrazinylbenzoic acid |
| InChI Key | PCNFLKVWBDNNOW-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
p-Toluidine, For Spectrophotometric Det. of Au, Tl(III), W, ≥99.0%, MilliporeSigma™ Supelco™
MDL Number: MFCD00007906 Synonym: 4-Aminotoluene; 4-Methylaniline
| MDL Number | MFCD00007906 |
|---|---|
| Synonym | 4-Aminotoluene; 4-Methylaniline |
3-Bromo-2,6-dimethoxybenzoic acid, ≥97%, Thermo Scientific™
CAS: 73219-89-3 Molecular Formula: C9H9BrO4 Molecular Weight (g/mol): 261.071 MDL Number: MFCD00052933 InChI Key: CUQANLQRQJHIQE-UHFFFAOYSA-N PubChem CID: 2774744 IUPAC Name: 3-bromo-2,6-dimethoxybenzoic acid SMILES: COC1=C(C(=C(C=C1)Br)OC)C(=O)O
| PubChem CID | 2774744 |
|---|---|
| CAS | 73219-89-3 |
| Molecular Weight (g/mol) | 261.071 |
| MDL Number | MFCD00052933 |
| SMILES | COC1=C(C(=C(C=C1)Br)OC)C(=O)O |
| IUPAC Name | 3-bromo-2,6-dimethoxybenzoic acid |
| InChI Key | CUQANLQRQJHIQE-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO4 |
2,4-Dimethoxybenzylamine, 98%
CAS: 20781-20-8 Molecular Formula: C9H13NO2 Molecular Weight (g/mol): 167.208 MDL Number: MFCD00052393 InChI Key: QOWBXWFYRXSBAS-UHFFFAOYSA-N PubChem CID: 597250 IUPAC Name: (2,4-dimethoxyphenyl)methanamine SMILES: COC1=CC(=C(C=C1)CN)OC
| PubChem CID | 597250 |
|---|---|
| CAS | 20781-20-8 |
| Molecular Weight (g/mol) | 167.208 |
| MDL Number | MFCD00052393 |
| SMILES | COC1=CC(=C(C=C1)CN)OC |
| IUPAC Name | (2,4-dimethoxyphenyl)methanamine |
| InChI Key | QOWBXWFYRXSBAS-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO2 |
4-Fluoro-2-iodobenzoic acid, 97%
CAS: 56096-89-0 Molecular Formula: C7H4FIO2 Molecular Weight (g/mol): 266.01 MDL Number: MFCD04108278 InChI Key: DUKFTVLJAXWGPI-UHFFFAOYSA-N Synonym: 4-fluoro-2-iodo-benzoic acid,2-iodo-4-fluorobenzoic acid,4-fluoro-2-iodobenzoicacid,benzoic acid, 4-fluoro-2-iodo,benzoic acid, 4-fluoroiodo,pubchem1389,acmc-1atr7,ksc494a9j,benzoic acid,4-fluoro-2-iodo,buttpark 83\07-33 PubChem CID: 12520164 IUPAC Name: 4-fluoro-2-iodobenzoic acid SMILES: C1=CC(=C(C=C1F)I)C(=O)O
| PubChem CID | 12520164 |
|---|---|
| CAS | 56096-89-0 |
| Molecular Weight (g/mol) | 266.01 |
| MDL Number | MFCD04108278 |
| SMILES | C1=CC(=C(C=C1F)I)C(=O)O |
| Synonym | 4-fluoro-2-iodo-benzoic acid,2-iodo-4-fluorobenzoic acid,4-fluoro-2-iodobenzoicacid,benzoic acid, 4-fluoro-2-iodo,benzoic acid, 4-fluoroiodo,pubchem1389,acmc-1atr7,ksc494a9j,benzoic acid,4-fluoro-2-iodo,buttpark 83\07-33 |
| IUPAC Name | 4-fluoro-2-iodobenzoic acid |
| InChI Key | DUKFTVLJAXWGPI-UHFFFAOYSA-N |
| Molecular Formula | C7H4FIO2 |