Benzene and substituted derivatives
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3-(1-Methyl-1H-pyrazol-5-yl)benzylamine, 97%, Thermo Scientific™
CAS: 934570-45-3 Molecular Formula: C11H13N3 Molecular Weight (g/mol): 187.246 MDL Number: MFCD09702399 InChI Key: UPQOTZRZQXMJNT-UHFFFAOYSA-N Synonym: 3-1-methyl-1h-pyrazol-5-yl phenyl methanamine,3-1-methyl-1h-pyrazol-5-yl benzylamine,3-2-methylpyrazol-3-yl phenyl methanamine,3-1-methylpyrazol-5-yl phenyl methylamine,3-1-methyl-1h-pyrazol-5-yl phenyl methylamine,1-3-1-methyl-1h-pyrazol-5-yl phenyl methanamine,1-3-2-methylpyrazol-3-yl phenyl methanamine,benzenemethanamine,3-1-methyl-1h-pyrazol-5-yl PubChem CID: 24229625 IUPAC Name: [3-(2-methylpyrazol-3-yl)phenyl]methanamine SMILES: CN1C(=CC=N1)C2=CC(=CC=C2)CN
| PubChem CID | 24229625 |
|---|---|
| CAS | 934570-45-3 |
| Molecular Weight (g/mol) | 187.246 |
| MDL Number | MFCD09702399 |
| SMILES | CN1C(=CC=N1)C2=CC(=CC=C2)CN |
| Synonym | 3-1-methyl-1h-pyrazol-5-yl phenyl methanamine,3-1-methyl-1h-pyrazol-5-yl benzylamine,3-2-methylpyrazol-3-yl phenyl methanamine,3-1-methylpyrazol-5-yl phenyl methylamine,3-1-methyl-1h-pyrazol-5-yl phenyl methylamine,1-3-1-methyl-1h-pyrazol-5-yl phenyl methanamine,1-3-2-methylpyrazol-3-yl phenyl methanamine,benzenemethanamine,3-1-methyl-1h-pyrazol-5-yl |
| IUPAC Name | [3-(2-methylpyrazol-3-yl)phenyl]methanamine |
| InChI Key | UPQOTZRZQXMJNT-UHFFFAOYSA-N |
| Molecular Formula | C11H13N3 |
Dibenzenesulfonamide, 95%
CAS: 2618-96-4 Molecular Formula: C12H11NO4S2 Molecular Weight (g/mol): 297.343 MDL Number: MFCD00025019 InChI Key: OVQABVAKPIYHIG-UHFFFAOYSA-N Synonym: dibenzenesulfonimide,benzenesulfonamide, n-phenylsulfonyl,dibenzenesulfonamide,bis phenylsulfonyl amine,n-phenylsulfonyl benzenesulfonamide,dibenzolsulfimid,dibenzolsulfimide,diphenylsulfonimide,benzenesulfonic acid imide,n-benzenesulfonyl benzenesulfonamide PubChem CID: 75671 IUPAC Name: N-(benzenesulfonyl)benzenesulfonamide SMILES: C1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=CC=C2
| PubChem CID | 75671 |
|---|---|
| CAS | 2618-96-4 |
| Molecular Weight (g/mol) | 297.343 |
| MDL Number | MFCD00025019 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)NS(=O)(=O)C2=CC=CC=C2 |
| Synonym | dibenzenesulfonimide,benzenesulfonamide, n-phenylsulfonyl,dibenzenesulfonamide,bis phenylsulfonyl amine,n-phenylsulfonyl benzenesulfonamide,dibenzolsulfimid,dibenzolsulfimide,diphenylsulfonimide,benzenesulfonic acid imide,n-benzenesulfonyl benzenesulfonamide |
| IUPAC Name | N-(benzenesulfonyl)benzenesulfonamide |
| InChI Key | OVQABVAKPIYHIG-UHFFFAOYSA-N |
| Molecular Formula | C12H11NO4S2 |
Methyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropionate, 98%
CAS: 32981-85-4 Molecular Formula: C17H17NO4 Molecular Weight (g/mol): 299.326 MDL Number: MFCD00673331 InChI Key: UYJLJICUXJPKTB-LSDHHAIUSA-N Synonym: 2r,3s-methyl 3-benzamido-2-hydroxy-3-phenylpropanoate,methyl 2r,3s-3-benzoylamino-2-hydroxy-3-phenylpropanoate,bz-rs-iser 3-ph-ome,benzenepropanoic acid, beta-benzoylamino-alpha-hydroxy-, methyl ester, alphar,betas,methyl 2r,3s-3-benzamido-2-hydroxy-3-phenylpropanoate,2r,3s-n-tert-butoxycarbony-3-phenylisoserine methyl ester,methyl 2r,3s-2-hydroxy-3-phenyl-3-phenylformamido propanoate,pubchem9699,n-benzoyl-2r,3s-3-phenylisoserine methyl ester,methyl 2r,3s-n-benzoylphenylisoserinate PubChem CID: 182104 IUPAC Name: methyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate SMILES: COC(=O)C(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O
| PubChem CID | 182104 |
|---|---|
| CAS | 32981-85-4 |
| Molecular Weight (g/mol) | 299.326 |
| MDL Number | MFCD00673331 |
| SMILES | COC(=O)C(C(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)O |
| Synonym | 2r,3s-methyl 3-benzamido-2-hydroxy-3-phenylpropanoate,methyl 2r,3s-3-benzoylamino-2-hydroxy-3-phenylpropanoate,bz-rs-iser 3-ph-ome,benzenepropanoic acid, beta-benzoylamino-alpha-hydroxy-, methyl ester, alphar,betas,methyl 2r,3s-3-benzamido-2-hydroxy-3-phenylpropanoate,2r,3s-n-tert-butoxycarbony-3-phenylisoserine methyl ester,methyl 2r,3s-2-hydroxy-3-phenyl-3-phenylformamido propanoate,pubchem9699,n-benzoyl-2r,3s-3-phenylisoserine methyl ester,methyl 2r,3s-n-benzoylphenylisoserinate |
| IUPAC Name | methyl (2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoate |
| InChI Key | UYJLJICUXJPKTB-LSDHHAIUSA-N |
| Molecular Formula | C17H17NO4 |
Methyl 2-amino-3-bromo-5-methoxybenzoate, 96%, Thermo Scientific Chemicals
CAS: 1378874-22-6 Molecular Formula: C9H10BrNO3 Molecular Weight (g/mol): 260.087 MDL Number: MFCD20527215 InChI Key: WPRSGBOUSTUNEC-UHFFFAOYSA-N Synonym: 2-amino-3-bromo-5-methoxybenzoic acid methyl ester PubChem CID: 73995991 IUPAC Name: methyl 2-amino-3-bromo-5-methoxybenzoate SMILES: COC1=CC(=C(C(=C1)C(=O)OC)N)Br
| PubChem CID | 73995991 |
|---|---|
| CAS | 1378874-22-6 |
| Molecular Weight (g/mol) | 260.087 |
| MDL Number | MFCD20527215 |
| SMILES | COC1=CC(=C(C(=C1)C(=O)OC)N)Br |
| Synonym | 2-amino-3-bromo-5-methoxybenzoic acid methyl ester |
| IUPAC Name | methyl 2-amino-3-bromo-5-methoxybenzoate |
| InChI Key | WPRSGBOUSTUNEC-UHFFFAOYSA-N |
| Molecular Formula | C9H10BrNO3 |
N-Isopropyl-4-methylbenzenesulfonamide, 97%
CAS: 21230-07-9 Molecular Formula: C10H15NO2S Molecular Weight (g/mol): 213.295 MDL Number: MFCD00543042 InChI Key: NXUHAAIJVABUMJ-UHFFFAOYSA-N Synonym: n-isopropyl-4-methylbenzenesulfonamide,4-methyl-n-propan-2-yl benzene-1-sulfonamide,n-isopropyl-p-toluenesulfonamide,4-methyl-n-propan-2-yl benzenesulfonamide,methylethyl 4-methylphenyl sulfonyl amine PubChem CID: 4329528 IUPAC Name: 4-methyl-N-propan-2-ylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)NC(C)C
| PubChem CID | 4329528 |
|---|---|
| CAS | 21230-07-9 |
| Molecular Weight (g/mol) | 213.295 |
| MDL Number | MFCD00543042 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NC(C)C |
| Synonym | n-isopropyl-4-methylbenzenesulfonamide,4-methyl-n-propan-2-yl benzene-1-sulfonamide,n-isopropyl-p-toluenesulfonamide,4-methyl-n-propan-2-yl benzenesulfonamide,methylethyl 4-methylphenyl sulfonyl amine |
| IUPAC Name | 4-methyl-N-propan-2-ylbenzenesulfonamide |
| InChI Key | NXUHAAIJVABUMJ-UHFFFAOYSA-N |
| Molecular Formula | C10H15NO2S |
Bis(2-aminophenyl) ether, 98%
CAS: 24878-25-9 Molecular Formula: C12H12N2O Molecular Weight (g/mol): 200.241 MDL Number: MFCD00792533 InChI Key: GOJFAKBEASOYNM-UHFFFAOYSA-N Synonym: 2,2'-oxydianiline,2-2-aminophenoxy aniline,2,2 inverted exclamation marka-oxydianiline,aminophenyl ether,o,o'-oxydianiline,2-aminophenyl ether,bis 2-aminophenyl ether,2,2'-oxybis benzenamine,benzenamine,2,2'-oxybis,2,2'-diaminodiphenyl ether PubChem CID: 458824 IUPAC Name: 2-(2-aminophenoxy)aniline SMILES: C1=CC=C(C(=C1)N)OC2=CC=CC=C2N
| PubChem CID | 458824 |
|---|---|
| CAS | 24878-25-9 |
| Molecular Weight (g/mol) | 200.241 |
| MDL Number | MFCD00792533 |
| SMILES | C1=CC=C(C(=C1)N)OC2=CC=CC=C2N |
| Synonym | 2,2'-oxydianiline,2-2-aminophenoxy aniline,2,2 inverted exclamation marka-oxydianiline,aminophenyl ether,o,o'-oxydianiline,2-aminophenyl ether,bis 2-aminophenyl ether,2,2'-oxybis benzenamine,benzenamine,2,2'-oxybis,2,2'-diaminodiphenyl ether |
| IUPAC Name | 2-(2-aminophenoxy)aniline |
| InChI Key | GOJFAKBEASOYNM-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O |
4-Iodo-2-(trifluoromethyl)benzonitrile, 97%
CAS: 101066-87-9 Molecular Formula: C8H3F3IN Molecular Weight (g/mol): 297.019 MDL Number: MFCD08458091 InChI Key: RBRTXKYFMXVIER-UHFFFAOYSA-N Synonym: 4-iodo-2-trifluoromethyl benzonitrile,2-cyano-5-iodobenzotrifluoride,benzonitrile, 4-iodo-2-trifluoromethyl,2-trifluoromethyl-4-iodobenzonitrile,4-cyano-3-trifluoromethyl-1-iodobenzene,4-cyano-3-trifluoromethyl iodobenzene,4-iodo-2-trifluoromethyl benzenecarbonitrile,pubchem4810,acmc-1bqw7,ksc494m4b PubChem CID: 16218337 IUPAC Name: 4-iodo-2-(trifluoromethyl)benzonitrile SMILES: C1=CC(=C(C=C1I)C(F)(F)F)C#N
| PubChem CID | 16218337 |
|---|---|
| CAS | 101066-87-9 |
| Molecular Weight (g/mol) | 297.019 |
| MDL Number | MFCD08458091 |
| SMILES | C1=CC(=C(C=C1I)C(F)(F)F)C#N |
| Synonym | 4-iodo-2-trifluoromethyl benzonitrile,2-cyano-5-iodobenzotrifluoride,benzonitrile, 4-iodo-2-trifluoromethyl,2-trifluoromethyl-4-iodobenzonitrile,4-cyano-3-trifluoromethyl-1-iodobenzene,4-cyano-3-trifluoromethyl iodobenzene,4-iodo-2-trifluoromethyl benzenecarbonitrile,pubchem4810,acmc-1bqw7,ksc494m4b |
| IUPAC Name | 4-iodo-2-(trifluoromethyl)benzonitrile |
| InChI Key | RBRTXKYFMXVIER-UHFFFAOYSA-N |
| Molecular Formula | C8H3F3IN |
4-Fluoro-3-nitrobenzenesulfonamide, 97%
CAS: 406233-31-6 Molecular Formula: C6H5FN2O4S Molecular Weight (g/mol): 220.174 MDL Number: MFCD08703185 InChI Key: FAYVDRRKPVJSPE-UHFFFAOYSA-N PubChem CID: 16782487 IUPAC Name: 4-fluoro-3-nitrobenzenesulfonamide SMILES: C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])F
| PubChem CID | 16782487 |
|---|---|
| CAS | 406233-31-6 |
| Molecular Weight (g/mol) | 220.174 |
| MDL Number | MFCD08703185 |
| SMILES | C1=CC(=C(C=C1S(=O)(=O)N)[N+](=O)[O-])F |
| IUPAC Name | 4-fluoro-3-nitrobenzenesulfonamide |
| InChI Key | FAYVDRRKPVJSPE-UHFFFAOYSA-N |
| Molecular Formula | C6H5FN2O4S |
4-Bromomethyl-2-fluorobenzeneboronic acid pinacol ester, 96%
CAS: 1029439-49-3 Molecular Formula: C13H17BBrFO2 Molecular Weight (g/mol): 314.989 MDL Number: MFCD18434471 InChI Key: QOCYLABQSVWXGE-UHFFFAOYSA-N Synonym: 2-4-bromomethyl-2-fluorophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-bromomethyl-2-fluorophenylboronic acid pinacol ester,4-bromomethyl-2-fluorobenzeneboronic acid pinacol ester,4-bromomethyl-2-fluorophenyl boronic acid pinacol ester PubChem CID: 53217331 IUPAC Name: 2-[4-(bromomethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)CBr)F
| PubChem CID | 53217331 |
|---|---|
| CAS | 1029439-49-3 |
| Molecular Weight (g/mol) | 314.989 |
| MDL Number | MFCD18434471 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)CBr)F |
| Synonym | 2-4-bromomethyl-2-fluorophenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,4-bromomethyl-2-fluorophenylboronic acid pinacol ester,4-bromomethyl-2-fluorobenzeneboronic acid pinacol ester,4-bromomethyl-2-fluorophenyl boronic acid pinacol ester |
| IUPAC Name | 2-[4-(bromomethyl)-2-fluorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | QOCYLABQSVWXGE-UHFFFAOYSA-N |
| Molecular Formula | C13H17BBrFO2 |
Methyl 5-fluoro-2-nitrobenzoate, 98%
CAS: 393-85-1 Molecular Formula: C8H6FNO4 Molecular Weight (g/mol): 199.14 MDL Number: MFCD03425619 InChI Key: LCAUVFVOLNRVKG-UHFFFAOYSA-N Synonym: 2-nitro-5-fluorobenzoic acid methyl ester,5-fluoro-2-nitrobenzoic acid methyl ester,2-nitro-5-fluorobenzoic acid, methyl ester,benzoic acid, 5-fluoro-2-nitro-, methyl ester,methyl 5fluoro-2-nitrobenzoate,methyl5-fluoro-2-nitrobenzoate,2-nitro-5-fluorobenzoic acid,methyl ester,3-fluoro-6-nitrobenzoic acid methyl ester,5-fluoro-2-nitro-benzoic acid methyl ester,benzoic acid,5-fluoro-2-nitro-, methyl ester PubChem CID: 5152049 IUPAC Name: methyl 5-fluoro-2-nitrobenzoate SMILES: COC(=O)C1=C(C=CC(F)=C1)[N+]([O-])=O
| PubChem CID | 5152049 |
|---|---|
| CAS | 393-85-1 |
| Molecular Weight (g/mol) | 199.14 |
| MDL Number | MFCD03425619 |
| SMILES | COC(=O)C1=C(C=CC(F)=C1)[N+]([O-])=O |
| Synonym | 2-nitro-5-fluorobenzoic acid methyl ester,5-fluoro-2-nitrobenzoic acid methyl ester,2-nitro-5-fluorobenzoic acid, methyl ester,benzoic acid, 5-fluoro-2-nitro-, methyl ester,methyl 5fluoro-2-nitrobenzoate,methyl5-fluoro-2-nitrobenzoate,2-nitro-5-fluorobenzoic acid,methyl ester,3-fluoro-6-nitrobenzoic acid methyl ester,5-fluoro-2-nitro-benzoic acid methyl ester,benzoic acid,5-fluoro-2-nitro-, methyl ester |
| IUPAC Name | methyl 5-fluoro-2-nitrobenzoate |
| InChI Key | LCAUVFVOLNRVKG-UHFFFAOYSA-N |
| Molecular Formula | C8H6FNO4 |
2-Bromobenzylzinc bromide, 0.5M in THF, packaged under Argon in resealable ChemSeal™ bottles
CAS: 307496-27-1 Molecular Formula: C7H6Br2Zn Molecular Weight (g/mol): 315.313 MDL Number: MFCD01311433 InChI Key: DGWAMZSHJOIPLU-UHFFFAOYSA-M Synonym: 2-bromobenzylzinc bromide,2-bromobenzylzinc bromide solution,o-bromobenzylzinc bromide,bromo 2-bromophenyl methyl zinc,2-bromobenzylzinc bromide 0.5 m in tetrahydrofuran,2-bromobenzylzinc bromide solution, 0.5 m in thf,2-bromobenzylzinc bromide, 0.5m in thf, packaged under argon in resealable chemseal bottles PubChem CID: 5073751 IUPAC Name: 1-bromo-2-methanidylbenzene;bromozinc(1+) SMILES: [CH2-]C1=CC=CC=C1Br.[Zn+]Br
| PubChem CID | 5073751 |
|---|---|
| CAS | 307496-27-1 |
| Molecular Weight (g/mol) | 315.313 |
| MDL Number | MFCD01311433 |
| SMILES | [CH2-]C1=CC=CC=C1Br.[Zn+]Br |
| Synonym | 2-bromobenzylzinc bromide,2-bromobenzylzinc bromide solution,o-bromobenzylzinc bromide,bromo 2-bromophenyl methyl zinc,2-bromobenzylzinc bromide 0.5 m in tetrahydrofuran,2-bromobenzylzinc bromide solution, 0.5 m in thf,2-bromobenzylzinc bromide, 0.5m in thf, packaged under argon in resealable chemseal bottles |
| IUPAC Name | 1-bromo-2-methanidylbenzene;bromozinc(1+) |
| InChI Key | DGWAMZSHJOIPLU-UHFFFAOYSA-M |
| Molecular Formula | C7H6Br2Zn |
Methyl 5-amino-2-methylbenzoate, 97%
CAS: 18595-12-5 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.19 MDL Number: MFCD08752568 InChI Key: JNPZKGOLYSCSEL-UHFFFAOYSA-N PubChem CID: 15049977 IUPAC Name: methyl 5-amino-2-methylbenzoate SMILES: COC(=O)C1=C(C)C=CC(N)=C1
| PubChem CID | 15049977 |
|---|---|
| CAS | 18595-12-5 |
| Molecular Weight (g/mol) | 165.19 |
| MDL Number | MFCD08752568 |
| SMILES | COC(=O)C1=C(C)C=CC(N)=C1 |
| IUPAC Name | methyl 5-amino-2-methylbenzoate |
| InChI Key | JNPZKGOLYSCSEL-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
2-Bromo-3-fluoroaniline, 97%
CAS: 111721-75-6 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.015 MDL Number: MFCD07369915 InChI Key: XZRSXRUYZXBTGD-UHFFFAOYSA-N Synonym: 2-bromo-3-fluorophenylamine,2-bromo-3-fluoro-phenylamine,2-bromo-3-fluorobenzenamine,benzenamine, 2-bromo-3-fluoro,pubchem1523,acmc-1c6kb,2-bromo-3-fluoro-aniline,ksc493i1t,2-bromo-3-fluoro-phenyl-amine PubChem CID: 14770005 IUPAC Name: 2-bromo-3-fluoroaniline SMILES: C1=CC(=C(C(=C1)F)Br)N
| PubChem CID | 14770005 |
|---|---|
| CAS | 111721-75-6 |
| Molecular Weight (g/mol) | 190.015 |
| MDL Number | MFCD07369915 |
| SMILES | C1=CC(=C(C(=C1)F)Br)N |
| Synonym | 2-bromo-3-fluorophenylamine,2-bromo-3-fluoro-phenylamine,2-bromo-3-fluorobenzenamine,benzenamine, 2-bromo-3-fluoro,pubchem1523,acmc-1c6kb,2-bromo-3-fluoro-aniline,ksc493i1t,2-bromo-3-fluoro-phenyl-amine |
| IUPAC Name | 2-bromo-3-fluoroaniline |
| InChI Key | XZRSXRUYZXBTGD-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
5-Bromo-2-fluoroaniline, 98%
CAS: 2924-09-6 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.02 MDL Number: MFCD03094181 InChI Key: ADWKOCXRCRSMLQ-UHFFFAOYSA-N
| CAS | 2924-09-6 |
|---|---|
| Molecular Weight (g/mol) | 190.02 |
| MDL Number | MFCD03094181 |
| InChI Key | ADWKOCXRCRSMLQ-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
2-Fluoro-3-nitrobenzoic acid, 97%
CAS: 317-46-4 Molecular Formula: C7H4FNO4 Molecular Weight (g/mol): 185.11 MDL Number: MFCD06797825 InChI Key: WLGUSLGYTNJJFV-UHFFFAOYSA-N Synonym: 2-fluoro-3-nitrobenzoic acid,2-fluoro-3-nitrobenzoicacid,2-fluoro-3-nitro benzoic acid,3-carboxy-2-fluoronitrobenzene,pubchem1398,acmc-1ajf3,ksc494k8n,benzoic acid,2-fluoro-3-nitro PubChem CID: 18672992 IUPAC Name: 2-fluoro-3-nitrobenzoic acid SMILES: OC(=O)C1=C(F)C(=CC=C1)[N+]([O-])=O
| PubChem CID | 18672992 |
|---|---|
| CAS | 317-46-4 |
| Molecular Weight (g/mol) | 185.11 |
| MDL Number | MFCD06797825 |
| SMILES | OC(=O)C1=C(F)C(=CC=C1)[N+]([O-])=O |
| Synonym | 2-fluoro-3-nitrobenzoic acid,2-fluoro-3-nitrobenzoicacid,2-fluoro-3-nitro benzoic acid,3-carboxy-2-fluoronitrobenzene,pubchem1398,acmc-1ajf3,ksc494k8n,benzoic acid,2-fluoro-3-nitro |
| IUPAC Name | 2-fluoro-3-nitrobenzoic acid |
| InChI Key | WLGUSLGYTNJJFV-UHFFFAOYSA-N |
| Molecular Formula | C7H4FNO4 |