Benzene and substituted derivatives
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4-Fluorophenylzinc bromide, 0.5M in THF, packaged under Argon in resealable ChemSeal™ bottles
CAS: 181705-93-1 Molecular Formula: C6H4BrFZn Molecular Weight (g/mol): 240.38 MDL Number: MFCD02093640 InChI Key: VRJVWWPYGMESMA-UHFFFAOYSA-M Synonym: zinc 2+ ion 4-fluorobenzen-1-ide bromide PubChem CID: 54707046 IUPAC Name: bromozinc(1+);fluorobenzene SMILES: C1=CC(=CC=[C-]1)F.[Zn+]Br
| PubChem CID | 54707046 |
|---|---|
| CAS | 181705-93-1 |
| Molecular Weight (g/mol) | 240.38 |
| MDL Number | MFCD02093640 |
| SMILES | C1=CC(=CC=[C-]1)F.[Zn+]Br |
| Synonym | zinc 2+ ion 4-fluorobenzen-1-ide bromide |
| IUPAC Name | bromozinc(1+);fluorobenzene |
| InChI Key | VRJVWWPYGMESMA-UHFFFAOYSA-M |
| Molecular Formula | C6H4BrFZn |
Methyl 3-bromo-2-fluorobenzoate, 98%, Thermo Scientific Chemicals
CAS: 206551-41-9 Molecular Formula: C8H6BrFO2 Molecular Weight (g/mol): 233.036 MDL Number: MFCD09261255 InChI Key: ZWOFHFOFKBYRHV-UHFFFAOYSA-N Synonym: 3-bromo-2-fluorobenzoic acid methyl ester,benzoic acid, 3-bromo-2-fluoro-, methyl ester,pubchem21940,acmc-209fct,methyl bromofluorobenzoate,methyl3-bromo-2-fluorobenzoate,3-bromo-2-fluoro-benzoic acid methyl ester PubChem CID: 21584505 IUPAC Name: methyl 3-bromo-2-fluorobenzoate SMILES: COC(=O)C1=C(C(=CC=C1)Br)F
| PubChem CID | 21584505 |
|---|---|
| CAS | 206551-41-9 |
| Molecular Weight (g/mol) | 233.036 |
| MDL Number | MFCD09261255 |
| SMILES | COC(=O)C1=C(C(=CC=C1)Br)F |
| Synonym | 3-bromo-2-fluorobenzoic acid methyl ester,benzoic acid, 3-bromo-2-fluoro-, methyl ester,pubchem21940,acmc-209fct,methyl bromofluorobenzoate,methyl3-bromo-2-fluorobenzoate,3-bromo-2-fluoro-benzoic acid methyl ester |
| IUPAC Name | methyl 3-bromo-2-fluorobenzoate |
| InChI Key | ZWOFHFOFKBYRHV-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrFO2 |
3-(3-Bromophenyl)-1H-pyrazole, 98%, Thermo Scientific Chemicals
CAS: 149739-65-1 Molecular Formula: C9H7BrN2 Molecular Weight (g/mol): 223.07 MDL Number: MFCD01940433 InChI Key: NVRXIZHZQPRBKL-UHFFFAOYSA-N Synonym: 3-3-bromophenyl-1h-pyrazole,5-3-bromophenyl-1h-pyrazole,5-3-bromo-phenyl-1h-pyrazole,3-3-bromophenyl pyrazole,3-3-bromophenyl-2h-pyrazole,1h-pyrazole, 3-3-bromophenyl,1-bromo-3-1h-pyrazol-3-yl benzene,5-3-bromophenyl pyrazole,acmc-1c2w8,ksc494i0r PubChem CID: 2735613 IUPAC Name: 5-(3-bromophenyl)-1H-pyrazole SMILES: BrC1=CC=CC(=C1)C1=CC=NN1
| PubChem CID | 2735613 |
|---|---|
| CAS | 149739-65-1 |
| Molecular Weight (g/mol) | 223.07 |
| MDL Number | MFCD01940433 |
| SMILES | BrC1=CC=CC(=C1)C1=CC=NN1 |
| Synonym | 3-3-bromophenyl-1h-pyrazole,5-3-bromophenyl-1h-pyrazole,5-3-bromo-phenyl-1h-pyrazole,3-3-bromophenyl pyrazole,3-3-bromophenyl-2h-pyrazole,1h-pyrazole, 3-3-bromophenyl,1-bromo-3-1h-pyrazol-3-yl benzene,5-3-bromophenyl pyrazole,acmc-1c2w8,ksc494i0r |
| IUPAC Name | 5-(3-bromophenyl)-1H-pyrazole |
| InChI Key | NVRXIZHZQPRBKL-UHFFFAOYSA-N |
| Molecular Formula | C9H7BrN2 |
N-Benzyl-3-pyridinemethylamine, 97%, Thermo Scientific Chemicals
CAS: 63361-56-8 Molecular Formula: C13H14N2 Molecular Weight (g/mol): 198.27 MDL Number: MFCD00716866,MFCD08061098 InChI Key: COHYOBKZKMKMIX-UHFFFAOYSA-N Synonym: benzyl-pyridin-3-ylmethyl-amine,n-nicotinylbenzylamine,benzyl pyridin-3-ylmethyl amine,benzylpyridin-3-ylmethylamine,1-phenyl-n-pyridin-3-ylmethyl methylamine,n-benzyl-3-pyridinemethylamine,n-benzyl-1-pyridin-3-yl methanamine,benzyl 3-pyridylmethyl amine,acmc-20aos7,3-benzylaminomethyl pyridine PubChem CID: 293794 IUPAC Name: 1-phenyl-N-(pyridin-3-ylmethyl)methanamine SMILES: C(NCC1=CC=CN=C1)C1=CC=CC=C1
| PubChem CID | 293794 |
|---|---|
| CAS | 63361-56-8 |
| Molecular Weight (g/mol) | 198.27 |
| MDL Number | MFCD00716866,MFCD08061098 |
| SMILES | C(NCC1=CC=CN=C1)C1=CC=CC=C1 |
| Synonym | benzyl-pyridin-3-ylmethyl-amine,n-nicotinylbenzylamine,benzyl pyridin-3-ylmethyl amine,benzylpyridin-3-ylmethylamine,1-phenyl-n-pyridin-3-ylmethyl methylamine,n-benzyl-3-pyridinemethylamine,n-benzyl-1-pyridin-3-yl methanamine,benzyl 3-pyridylmethyl amine,acmc-20aos7,3-benzylaminomethyl pyridine |
| IUPAC Name | 1-phenyl-N-(pyridin-3-ylmethyl)methanamine |
| InChI Key | COHYOBKZKMKMIX-UHFFFAOYSA-N |
| Molecular Formula | C13H14N2 |
Methyl 3-bromo-5-hydroxybenzoate, 97%, Thermo Scientific Chemicals
CAS: 192810-12-1 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.045 MDL Number: MFCD10566800 InChI Key: KRTBWIIGEJIUSA-UHFFFAOYSA-N Synonym: 3-bromo-5-hydroxybenzoic acid methyl ester,acmc-209f1w,methyl3-bromo-5-hydroxybenzoate,methyl 3-bromo-5-hydroxylbenzoate,3-bromo-5-hydroxy-benzoic acid methyl ester,benzoic acid,3-bromo-5-hydroxy-,methyl ester,benzoic acid, 3-bromo-5-hydroxy-, methyl ester PubChem CID: 53216607 IUPAC Name: methyl 3-bromo-5-hydroxybenzoate SMILES: COC(=O)C1=CC(=CC(=C1)Br)O
| PubChem CID | 53216607 |
|---|---|
| CAS | 192810-12-1 |
| Molecular Weight (g/mol) | 231.045 |
| MDL Number | MFCD10566800 |
| SMILES | COC(=O)C1=CC(=CC(=C1)Br)O |
| Synonym | 3-bromo-5-hydroxybenzoic acid methyl ester,acmc-209f1w,methyl3-bromo-5-hydroxybenzoate,methyl 3-bromo-5-hydroxylbenzoate,3-bromo-5-hydroxy-benzoic acid methyl ester,benzoic acid,3-bromo-5-hydroxy-,methyl ester,benzoic acid, 3-bromo-5-hydroxy-, methyl ester |
| IUPAC Name | methyl 3-bromo-5-hydroxybenzoate |
| InChI Key | KRTBWIIGEJIUSA-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO3 |
3-(Boc-amino)phenol, 97%
CAS: 19962-06-2 Molecular Formula: C11H15NO3 Molecular Weight (g/mol): 209.25 MDL Number: MFCD06798070 InChI Key: HJQNVUQTARSZDK-UHFFFAOYSA-N Synonym: tert-butyl 3-hydroxyphenylcarbamate,3-boc-amino phenol,tert-butyl n-3-hydroxyphenyl carbamate,tert-butyl 3-hydroxyphenyl carbamate,n-boc-3-aminophenol,carbamic acid, 3-hydroxyphenyl-, 1,1-dimethylethyl ester,carbamic acid, n-3-hydroxyphenyl-, 1,1-dimethylethyl ester,carbamic acid,n-3-hydroxyphenyl-, 1,1-dimethylethyl ester,tert-butoxy-n-3-hydroxyphenyl carboxamide,n-boc-3-amino-phenol PubChem CID: 312485 IUPAC Name: tert-butyl N-(3-hydroxyphenyl)carbamate SMILES: CC(C)(C)OC(=O)NC1=CC=CC(O)=C1
| PubChem CID | 312485 |
|---|---|
| CAS | 19962-06-2 |
| Molecular Weight (g/mol) | 209.25 |
| MDL Number | MFCD06798070 |
| SMILES | CC(C)(C)OC(=O)NC1=CC=CC(O)=C1 |
| Synonym | tert-butyl 3-hydroxyphenylcarbamate,3-boc-amino phenol,tert-butyl n-3-hydroxyphenyl carbamate,tert-butyl 3-hydroxyphenyl carbamate,n-boc-3-aminophenol,carbamic acid, 3-hydroxyphenyl-, 1,1-dimethylethyl ester,carbamic acid, n-3-hydroxyphenyl-, 1,1-dimethylethyl ester,carbamic acid,n-3-hydroxyphenyl-, 1,1-dimethylethyl ester,tert-butoxy-n-3-hydroxyphenyl carboxamide,n-boc-3-amino-phenol |
| IUPAC Name | tert-butyl N-(3-hydroxyphenyl)carbamate |
| InChI Key | HJQNVUQTARSZDK-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO3 |
1-(3-Fluorobenzyl)piperazine, 97%
CAS: 55513-19-4 Molecular Formula: C11H15FN2 Molecular Weight (g/mol): 194.253 MDL Number: MFCD02242870 InChI Key: ITHBJSRWFNLKIH-UHFFFAOYSA-N Synonym: 1-3-fluorobenzyl piperazine,1-3-fluorophenyl methyl piperazine,1-3-fluoro-benzyl-piperazine,3-fluorophenyl methyl piperazine,1-3-fluorobenz-yl piperazine,piperazine, 1-3-fluorophenyl methyl,1-3-fluorophenyl methyl piperazine trifluoroacetate PubChem CID: 903813 IUPAC Name: 1-[(3-fluorophenyl)methyl]piperazine SMILES: C1CN(CCN1)CC2=CC(=CC=C2)F
| PubChem CID | 903813 |
|---|---|
| CAS | 55513-19-4 |
| Molecular Weight (g/mol) | 194.253 |
| MDL Number | MFCD02242870 |
| SMILES | C1CN(CCN1)CC2=CC(=CC=C2)F |
| Synonym | 1-3-fluorobenzyl piperazine,1-3-fluorophenyl methyl piperazine,1-3-fluoro-benzyl-piperazine,3-fluorophenyl methyl piperazine,1-3-fluorobenz-yl piperazine,piperazine, 1-3-fluorophenyl methyl,1-3-fluorophenyl methyl piperazine trifluoroacetate |
| IUPAC Name | 1-[(3-fluorophenyl)methyl]piperazine |
| InChI Key | ITHBJSRWFNLKIH-UHFFFAOYSA-N |
| Molecular Formula | C11H15FN2 |
2-Bromo-N-methylaniline, 95%
CAS: 6832-87-7 Molecular Formula: C7H8BrN Molecular Weight (g/mol): 186.052 MDL Number: MFCD06798064 InChI Key: SMVIAQFTVWDWDS-UHFFFAOYSA-N PubChem CID: 334086 IUPAC Name: 2-bromo-N-methylaniline SMILES: CNC1=CC=CC=C1Br
| PubChem CID | 334086 |
|---|---|
| CAS | 6832-87-7 |
| Molecular Weight (g/mol) | 186.052 |
| MDL Number | MFCD06798064 |
| SMILES | CNC1=CC=CC=C1Br |
| IUPAC Name | 2-bromo-N-methylaniline |
| InChI Key | SMVIAQFTVWDWDS-UHFFFAOYSA-N |
| Molecular Formula | C7H8BrN |
3,3'-Diaminobenzophenone, 90%
CAS: 611-79-0 Molecular Formula: C13H12N2O Molecular Weight (g/mol): 212.25 MDL Number: MFCD00014774 InChI Key: TUQQUUXMCKXGDI-UHFFFAOYSA-N Synonym: 3,3'-diaminobenzophenone,bis 3-aminophenyl methanone,methanone, bis 3-aminophenyl,di3-aminophenyl ketone,3,3'-diaminodiphenyl ketone,pubchem3381,acmc-1awhc,cbmicro_014188,3,3'-diamino benzophenone,3-3-aminobenzoyl aniline PubChem CID: 69145 IUPAC Name: bis(3-aminophenyl)methanone SMILES: NC1=CC(=CC=C1)C(=O)C1=CC(N)=CC=C1
| PubChem CID | 69145 |
|---|---|
| CAS | 611-79-0 |
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD00014774 |
| SMILES | NC1=CC(=CC=C1)C(=O)C1=CC(N)=CC=C1 |
| Synonym | 3,3'-diaminobenzophenone,bis 3-aminophenyl methanone,methanone, bis 3-aminophenyl,di3-aminophenyl ketone,3,3'-diaminodiphenyl ketone,pubchem3381,acmc-1awhc,cbmicro_014188,3,3'-diamino benzophenone,3-3-aminobenzoyl aniline |
| IUPAC Name | bis(3-aminophenyl)methanone |
| InChI Key | TUQQUUXMCKXGDI-UHFFFAOYSA-N |
| Molecular Formula | C13H12N2O |
4-Bromobenzophenone, 98%
CAS: 90-90-4 Molecular Formula: C13H9BrO Molecular Weight (g/mol): 261.12 MDL Number: MFCD00000103 InChI Key: KEOLYBMGRQYQTN-UHFFFAOYSA-N Synonym: 4-bromobenzophenone,4-bromophenyl phenyl methanone,p-bromobenzophenone,methanone, 4-bromophenyl phenyl,benzophenone, 4-bromo,p-benzoylbromobenzene,usaf do-3,4-bromophenyl phenyl ketone,4-bromophenyl-phenyl-methanone,4-bromophenyl-phenylmethanone PubChem CID: 7030 SMILES: BrC1=CC=C(C=C1)C(=O)C1=CC=CC=C1
| PubChem CID | 7030 |
|---|---|
| CAS | 90-90-4 |
| Molecular Weight (g/mol) | 261.12 |
| MDL Number | MFCD00000103 |
| SMILES | BrC1=CC=C(C=C1)C(=O)C1=CC=CC=C1 |
| Synonym | 4-bromobenzophenone,4-bromophenyl phenyl methanone,p-bromobenzophenone,methanone, 4-bromophenyl phenyl,benzophenone, 4-bromo,p-benzoylbromobenzene,usaf do-3,4-bromophenyl phenyl ketone,4-bromophenyl-phenyl-methanone,4-bromophenyl-phenylmethanone |
| InChI Key | KEOLYBMGRQYQTN-UHFFFAOYSA-N |
| Molecular Formula | C13H9BrO |
2-Benzoylbenzoic acid, 98%
CAS: 85-52-9 Molecular Formula: C14H10O3 Molecular Weight (g/mol): 226.23 MDL Number: MFCD00002472 InChI Key: FGTYTUFKXYPTML-UHFFFAOYSA-N Synonym: o-benzoylbenzoic acid,benzoic acid, 2-benzoyl,2-carboxybenzophenone,benzophenone-2-carboxylic acid,benzoic acid, o-benzoyl,o-carboxybenzophenone,benzophenone-2-carbonic acid,2-benzoquinonecarboxylic acid,benzoylbenzoic acid,2-phenylcarbonyl benzoic acid PubChem CID: 6813 IUPAC Name: 2-benzoylbenzoic acid SMILES: OC(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1
| PubChem CID | 6813 |
|---|---|
| CAS | 85-52-9 |
| Molecular Weight (g/mol) | 226.23 |
| MDL Number | MFCD00002472 |
| SMILES | OC(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1 |
| Synonym | o-benzoylbenzoic acid,benzoic acid, 2-benzoyl,2-carboxybenzophenone,benzophenone-2-carboxylic acid,benzoic acid, o-benzoyl,o-carboxybenzophenone,benzophenone-2-carbonic acid,2-benzoquinonecarboxylic acid,benzoylbenzoic acid,2-phenylcarbonyl benzoic acid |
| IUPAC Name | 2-benzoylbenzoic acid |
| InChI Key | FGTYTUFKXYPTML-UHFFFAOYSA-N |
| Molecular Formula | C14H10O3 |
4-Dimethylaminobenzophenone, 98%
CAS: 530-44-9 Molecular Formula: C15H15NO Molecular Weight (g/mol): 225.291 MDL Number: MFCD00008311 InChI Key: BEUGBYXJXMVRFO-UHFFFAOYSA-N Synonym: 4-dimethylamino benzophenone,4-dimethylaminobenzophenone,p-dimethylaminobenzophenone,p-benzoyl-n,n-dimethylaniline,4-n,n-dimethylaminobenzophenone,p-dimethylamino benzophenone,4-dimethylamino phenyl phenyl methanone,4-benzoyl-n,n-dimethylaniline,methanone, 4-dimethylamino phenyl phenyl,benzophenone, 4-dimethylamino PubChem CID: 10737 IUPAC Name: [4-(dimethylamino)phenyl]-phenylmethanone SMILES: CN(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
| PubChem CID | 10737 |
|---|---|
| CAS | 530-44-9 |
| Molecular Weight (g/mol) | 225.291 |
| MDL Number | MFCD00008311 |
| SMILES | CN(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| Synonym | 4-dimethylamino benzophenone,4-dimethylaminobenzophenone,p-dimethylaminobenzophenone,p-benzoyl-n,n-dimethylaniline,4-n,n-dimethylaminobenzophenone,p-dimethylamino benzophenone,4-dimethylamino phenyl phenyl methanone,4-benzoyl-n,n-dimethylaniline,methanone, 4-dimethylamino phenyl phenyl,benzophenone, 4-dimethylamino |
| IUPAC Name | [4-(dimethylamino)phenyl]-phenylmethanone |
| InChI Key | BEUGBYXJXMVRFO-UHFFFAOYSA-N |
| Molecular Formula | C15H15NO |
4-Cyanobenzophenone, 98%
CAS: 1503-49-7 Molecular Formula: C14H9NO Molecular Weight (g/mol): 207.232 MDL Number: MFCD00016382 InChI Key: YSZWJJANSNFQMM-UHFFFAOYSA-N PubChem CID: 73921 IUPAC Name: 4-benzoylbenzonitrile SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N
| PubChem CID | 73921 |
|---|---|
| CAS | 1503-49-7 |
| Molecular Weight (g/mol) | 207.232 |
| MDL Number | MFCD00016382 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C#N |
| IUPAC Name | 4-benzoylbenzonitrile |
| InChI Key | YSZWJJANSNFQMM-UHFFFAOYSA-N |
| Molecular Formula | C14H9NO |
Fenofibrate, BP, EP, 98-102%, Spectrum™ Chemical
CAS: 49562-28-9 Molecular Formula: C20H21ClO4 Molecular Weight (g/mol): 360.83 InChI Key: YMTINGFKWWXKFG-UHFFFAOYSA-N IUPAC Name: propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate SMILES: CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1
| CAS | 49562-28-9 |
|---|---|
| Molecular Weight (g/mol) | 360.83 |
| SMILES | CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 |
| IUPAC Name | propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate |
| InChI Key | YMTINGFKWWXKFG-UHFFFAOYSA-N |
| Molecular Formula | C20H21ClO4 |
4-tert-Butylbenzophenone, 98%
CAS: 22679-54-5 Molecular Formula: C17H18O Molecular Weight (g/mol): 238.33 MDL Number: MFCD00017255 InChI Key: DFYJCXSOGSYMAJ-UHFFFAOYSA-N Synonym: 4-tert-butylbenzophenone,4-t-butyl benzophenone,4-tert-butyl phenyl phenyl methanone,4-tert-butyl-benzophenone,4-tert-butylphenyl-phenylmethanone,4-tert-butylphenyl phenyl methanone,methanone, 4-1,1-dimethylethyl phenyl phenyl,acmc-20aman,4-tert.-butylbenzophenone PubChem CID: 89790 IUPAC Name: (4-tert-butylphenyl)-phenylmethanone SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
| PubChem CID | 89790 |
|---|---|
| CAS | 22679-54-5 |
| Molecular Weight (g/mol) | 238.33 |
| MDL Number | MFCD00017255 |
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| Synonym | 4-tert-butylbenzophenone,4-t-butyl benzophenone,4-tert-butyl phenyl phenyl methanone,4-tert-butyl-benzophenone,4-tert-butylphenyl-phenylmethanone,4-tert-butylphenyl phenyl methanone,methanone, 4-1,1-dimethylethyl phenyl phenyl,acmc-20aman,4-tert.-butylbenzophenone |
| IUPAC Name | (4-tert-butylphenyl)-phenylmethanone |
| InChI Key | DFYJCXSOGSYMAJ-UHFFFAOYSA-N |
| Molecular Formula | C17H18O |