Benzene and substituted derivatives
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Methyl 2-chloro-4-fluorophenylacetate, 98%
CAS: 214262-88-1 Molecular Formula: C9H8ClFO2 Molecular Weight (g/mol): 202.61 MDL Number: MFCD00800611 InChI Key: DFTYYBRLWCAUHP-UHFFFAOYSA-N Synonym: methyl 2-2-chloro-4-fluorophenyl acetate,methyl 2-chloro-4-fluorophenylacetate,benzeneacetic acid, 2-chloro-4-fluoro-, methyl ester,methyl-2-chloro-4-fluorophenylacetate,pubchem16488,methyl 2-chloro-4-fluorophenyl acetate,methyl2-2-chloro-4-fluorophenyl acetate,2-chloro-4-fluorophenyl-acetic acid methyl ester,2-chloro-4-fluorophenyl acetic acid methyl ester,methyl 2-chloro-4-fluorophenylacetate 98 PubChem CID: 736123 IUPAC Name: methyl 2-(2-chloro-4-fluorophenyl)acetate SMILES: COC(=O)CC1=CC=C(F)C=C1Cl
| PubChem CID | 736123 |
|---|---|
| CAS | 214262-88-1 |
| Molecular Weight (g/mol) | 202.61 |
| MDL Number | MFCD00800611 |
| SMILES | COC(=O)CC1=CC=C(F)C=C1Cl |
| Synonym | methyl 2-2-chloro-4-fluorophenyl acetate,methyl 2-chloro-4-fluorophenylacetate,benzeneacetic acid, 2-chloro-4-fluoro-, methyl ester,methyl-2-chloro-4-fluorophenylacetate,pubchem16488,methyl 2-chloro-4-fluorophenyl acetate,methyl2-2-chloro-4-fluorophenyl acetate,2-chloro-4-fluorophenyl-acetic acid methyl ester,2-chloro-4-fluorophenyl acetic acid methyl ester,methyl 2-chloro-4-fluorophenylacetate 98 |
| IUPAC Name | methyl 2-(2-chloro-4-fluorophenyl)acetate |
| InChI Key | DFTYYBRLWCAUHP-UHFFFAOYSA-N |
| Molecular Formula | C9H8ClFO2 |
4-Iodobenzotrifluoride, 97%, Thermo Scientific Chemicals
CAS: 455-13-0 Molecular Formula: C7H4F3I Molecular Weight (g/mol): 272 MDL Number: MFCD00039398 InChI Key: SKGRFPGOGCHDPC-UHFFFAOYSA-N Synonym: 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene PubChem CID: 67993 IUPAC Name: 1-iodo-4-(trifluoromethyl)benzene SMILES: C1=CC(=CC=C1C(F)(F)F)I
| PubChem CID | 67993 |
|---|---|
| CAS | 455-13-0 |
| Molecular Weight (g/mol) | 272 |
| MDL Number | MFCD00039398 |
| SMILES | C1=CC(=CC=C1C(F)(F)F)I |
| Synonym | 4-iodobenzotrifluoride,1-iodo-4-trifluoromethyl benzene,p-iodobenzotrifluoride,benzene, 1-iodo-4-trifluoromethyl,4-trifluoromethyl iodobenzene,4-iodo-alpha,alpha,alpha-trifluorotoluene,alpha,alpha,alpha-trifluoro-4-iodotoluene,4-iodobenztrifluoride,4-iodobenzo trifluoride,4-iodo-1-trifluoromethylbenzene |
| IUPAC Name | 1-iodo-4-(trifluoromethyl)benzene |
| InChI Key | SKGRFPGOGCHDPC-UHFFFAOYSA-N |
| Molecular Formula | C7H4F3I |
3-(chloromethyl)benzoyl chloride, 98%
CAS: 63024-77-1 Molecular Formula: C8H6Cl2O Molecular Weight (g/mol): 189.04 MDL Number: MFCD00000682 InChI Key: YCAIYRWHKSJKEB-UHFFFAOYSA-N Synonym: 3-chloromethyl benzoyl chloride,3-chloromethyl benzoylchloride,3-chloromethyl-benzoyl chloride,benzoyl chloride, 3-chloromethyl,pubchem16448,3-chlormethylbenzoylchloride,3-chloromethylbenzoylchloride,acmc-1b65n PubChem CID: 2733324 IUPAC Name: 3-(chloromethyl)benzoyl chloride SMILES: C1=CC(=CC(=C1)CCl)C(=O)Cl
| PubChem CID | 2733324 |
|---|---|
| CAS | 63024-77-1 |
| Molecular Weight (g/mol) | 189.04 |
| MDL Number | MFCD00000682 |
| SMILES | C1=CC(=CC(=C1)CCl)C(=O)Cl |
| Synonym | 3-chloromethyl benzoyl chloride,3-chloromethyl benzoylchloride,3-chloromethyl-benzoyl chloride,benzoyl chloride, 3-chloromethyl,pubchem16448,3-chlormethylbenzoylchloride,3-chloromethylbenzoylchloride,acmc-1b65n |
| IUPAC Name | 3-(chloromethyl)benzoyl chloride |
| InChI Key | YCAIYRWHKSJKEB-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O |
Diphenylacetic Acid, 99+%
CAS: 117-34-0 MDL Number: MFCD00004251 InChI Key: PYHXGXCGESYPCW-UHFFFAOYSA-N Synonym: diphenylacetic acid,diphenylethanoic acid,acetic acid, diphenyl,benzeneacetic acid, .alpha.-phenyl,1,1-diphenylacetic acid,unii-658ncz0nko,diphenyl-acetic acid,alpha-toluic acid, alpha-phenyl,658ncz0nko,benzeneacetic acid, alpha-phenyl PubChem CID: 8333 ChEBI: CHEBI:41967 IUPAC Name: 2,2-diphenylacetic acid SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O
| PubChem CID | 8333 |
|---|---|
| CAS | 117-34-0 |
| ChEBI | CHEBI:41967 |
| MDL Number | MFCD00004251 |
| SMILES | C1=CC=C(C=C1)C(C2=CC=CC=C2)C(=O)O |
| Synonym | diphenylacetic acid,diphenylethanoic acid,acetic acid, diphenyl,benzeneacetic acid, .alpha.-phenyl,1,1-diphenylacetic acid,unii-658ncz0nko,diphenyl-acetic acid,alpha-toluic acid, alpha-phenyl,658ncz0nko,benzeneacetic acid, alpha-phenyl |
| IUPAC Name | 2,2-diphenylacetic acid |
| InChI Key | PYHXGXCGESYPCW-UHFFFAOYSA-N |
3-Chlorobenzoyl chloride, 99+%
CAS: 618-46-2 Molecular Formula: C7H4Cl2O Molecular Weight (g/mol): 175.01 MDL Number: MFCD00000671 InChI Key: WHIHIKVIWVIIER-UHFFFAOYSA-N Synonym: m-chlorobenzoyl chloride,benzoyl chloride, 3-chloro,benzoyl chloride, m-chloro,m-chlorobenzoylchloride,3-chlorobenzoylchloride,benzoylchloride, 3-chloro,mcoc,3-chlorobenzoic acid chloride,ccris 8615,3chlorobenzoyl chloride PubChem CID: 69252 IUPAC Name: 3-chlorobenzoyl chloride SMILES: ClC(=O)C1=CC=CC(Cl)=C1
| PubChem CID | 69252 |
|---|---|
| CAS | 618-46-2 |
| Molecular Weight (g/mol) | 175.01 |
| MDL Number | MFCD00000671 |
| SMILES | ClC(=O)C1=CC=CC(Cl)=C1 |
| Synonym | m-chlorobenzoyl chloride,benzoyl chloride, 3-chloro,benzoyl chloride, m-chloro,m-chlorobenzoylchloride,3-chlorobenzoylchloride,benzoylchloride, 3-chloro,mcoc,3-chlorobenzoic acid chloride,ccris 8615,3chlorobenzoyl chloride |
| IUPAC Name | 3-chlorobenzoyl chloride |
| InChI Key | WHIHIKVIWVIIER-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O |
1,4-Benzenedimethanol, 99%
CAS: 589-29-7 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004665 InChI Key: BWVAOONFBYYRHY-UHFFFAOYSA-N Synonym: 1,4-benzenedimethanol,p-xylylene glycol,p-xylene glycol,terephthalyl alcohol,4-hydroxymethyl phenyl methanol,1,4-xylylene glycol,1,4-phenylenedimethanol,p-benzenedimethanol,p-xylylenediol,1,4-dimethylolbenzene PubChem CID: 11506 IUPAC Name: [4-(hydroxymethyl)phenyl]methanol SMILES: C1=CC(=CC=C1CO)CO
| PubChem CID | 11506 |
|---|---|
| CAS | 589-29-7 |
| Molecular Weight (g/mol) | 138.17 |
| MDL Number | MFCD00004665 |
| SMILES | C1=CC(=CC=C1CO)CO |
| Synonym | 1,4-benzenedimethanol,p-xylylene glycol,p-xylene glycol,terephthalyl alcohol,4-hydroxymethyl phenyl methanol,1,4-xylylene glycol,1,4-phenylenedimethanol,p-benzenedimethanol,p-xylylenediol,1,4-dimethylolbenzene |
| IUPAC Name | [4-(hydroxymethyl)phenyl]methanol |
| InChI Key | BWVAOONFBYYRHY-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
4-Ethoxy-3-methoxybenzaldehyde, 95%, Thermo Scientific™
CAS: 120-25-2 MDL Number: MFCD00016614 InChI Key: BERFDQAMXIBOHM-UHFFFAOYSA-N Synonym: 4-ethoxy-3-anisaldehyde,4-ethoxy-m-anisaldehyde,benzaldehyde, 4-ethoxy-3-methoxy,ethyl-vanillin,asischem n42243,4-ethoxy-3-methoxy-benzaldehyde,ethylvanillin?,4-ethoxyvanillin,vanillin ethyl ether,pubchem2648 PubChem CID: 67116 IUPAC Name: 4-ethoxy-3-methoxybenzaldehyde SMILES: CCOC1=C(C=C(C=C1)C=O)OC
| PubChem CID | 67116 |
|---|---|
| CAS | 120-25-2 |
| MDL Number | MFCD00016614 |
| SMILES | CCOC1=C(C=C(C=C1)C=O)OC |
| Synonym | 4-ethoxy-3-anisaldehyde,4-ethoxy-m-anisaldehyde,benzaldehyde, 4-ethoxy-3-methoxy,ethyl-vanillin,asischem n42243,4-ethoxy-3-methoxy-benzaldehyde,ethylvanillin?,4-ethoxyvanillin,vanillin ethyl ether,pubchem2648 |
| IUPAC Name | 4-ethoxy-3-methoxybenzaldehyde |
| InChI Key | BERFDQAMXIBOHM-UHFFFAOYSA-N |
1-(4-Chlorobenzhydryl)piperazine, 90-95%
CAS: 303-26-4 Molecular Formula: C17H19ClN2 Molecular Weight (g/mol): 286.79 InChI Key: UZKBSZSTDQSMDR-UHFFFAOYSA-N Synonym: 1-4-chlorobenzhydryl piperazine,norchlorcyclizine,1-4-chlorophenyl phenyl methyl piperazine,n-p-chlorobenzhydryl piperazine,4-4-chlorobenzhydryl piperazine,1-4-chlorophenyl phenylmethyl piperazine,n-4-chlorobenzhydryl piperazine,1-4-chlorophenyl-phenylmethyl piperazine PubChem CID: 9340 IUPAC Name: 1-[(4-chlorophenyl)-phenylmethyl]piperazine SMILES: C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
| PubChem CID | 9340 |
|---|---|
| CAS | 303-26-4 |
| Molecular Weight (g/mol) | 286.79 |
| SMILES | C1CN(CCN1)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl |
| Synonym | 1-4-chlorobenzhydryl piperazine,norchlorcyclizine,1-4-chlorophenyl phenyl methyl piperazine,n-p-chlorobenzhydryl piperazine,4-4-chlorobenzhydryl piperazine,1-4-chlorophenyl phenylmethyl piperazine,n-4-chlorobenzhydryl piperazine,1-4-chlorophenyl-phenylmethyl piperazine |
| IUPAC Name | 1-[(4-chlorophenyl)-phenylmethyl]piperazine |
| InChI Key | UZKBSZSTDQSMDR-UHFFFAOYSA-N |
| Molecular Formula | C17H19ClN2 |
1-Iodo-4-nitrobenzene, 99%
CAS: 636-98-6 Molecular Formula: C6H4INO2 Molecular Weight (g/mol): 249.01 MDL Number: MFCD00007299 InChI Key: SCCCFNJTCDSLCY-UHFFFAOYSA-N Synonym: benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene PubChem CID: 12495 IUPAC Name: 1-iodo-4-nitrobenzene SMILES: C1=CC(=CC=C1[N+](=O)[O-])I
| PubChem CID | 12495 |
|---|---|
| CAS | 636-98-6 |
| Molecular Weight (g/mol) | 249.01 |
| MDL Number | MFCD00007299 |
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])I |
| Synonym | benzene, 1-iodo-4-nitro,p-iodonitrobenzene,4-iodonitrobenzene,p-nitroiodobenzene,4-nitroiodobenzene,4-iodo-nitrobenzene,p-nitrophenyl iodide,1-iodo-4-nitro-benzene,4-iodo-1-nitrobenzene,4-nitro-1-iodobenzene |
| IUPAC Name | 1-iodo-4-nitrobenzene |
| InChI Key | SCCCFNJTCDSLCY-UHFFFAOYSA-N |
| Molecular Formula | C6H4INO2 |
Isopropyltriphenylphosphonium iodide, 98%
CAS: 24470-78-8 Molecular Formula: C21H22IP Molecular Weight (g/mol): 432.29 MDL Number: MFCD00031595 InChI Key: HHBXWXJLQYJJBW-UHFFFAOYSA-M Synonym: isopropyltriphenylphosphonium iodide,phosphonium, 1-methylethyl triphenyl-, iodide,isopropyltriphenylphosphanium iodide,isopropyl triphenyl phosphonium iodide,triphenyl propan-2-yl phosphanium iodide,i-propyl triphenylphosphonium iodide,isopropyl triphenylphosphonium iodide,acmc-209gck,ksc493k7j,isopropyltriphenylphosphine iodide PubChem CID: 2723783 IUPAC Name: triphenyl(propan-2-yl)phosphanium;iodide SMILES: [I-].CC(C)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 2723783 |
|---|---|
| CAS | 24470-78-8 |
| Molecular Weight (g/mol) | 432.29 |
| MDL Number | MFCD00031595 |
| SMILES | [I-].CC(C)[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | isopropyltriphenylphosphonium iodide,phosphonium, 1-methylethyl triphenyl-, iodide,isopropyltriphenylphosphanium iodide,isopropyl triphenyl phosphonium iodide,triphenyl propan-2-yl phosphanium iodide,i-propyl triphenylphosphonium iodide,isopropyl triphenylphosphonium iodide,acmc-209gck,ksc493k7j,isopropyltriphenylphosphine iodide |
| IUPAC Name | triphenyl(propan-2-yl)phosphanium;iodide |
| InChI Key | HHBXWXJLQYJJBW-UHFFFAOYSA-M |
| Molecular Formula | C21H22IP |
alpha-Bromo-p-xylene, 98%
CAS: 104-81-4 Molecular Formula: C8H9Br Molecular Weight (g/mol): 185.06 MDL Number: MFCD00000181 InChI Key: WZRKSPFYXUXINF-UHFFFAOYSA-N Synonym: 4-methylbenzyl bromide,1-bromomethyl-4-methylbenzene,p-xylyl bromide,p-methylbenzyl bromide,alpha-bromo-p-xylene,benzene, 1-bromomethyl-4-methyl,4-bromomethyl toluene,p-bromomethyl toluene,alpha-bromo-p-xylol,1-bromomethyl-4-methyl-benzene PubChem CID: 7721 IUPAC Name: 1-(bromomethyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)CBr
| PubChem CID | 7721 |
|---|---|
| CAS | 104-81-4 |
| Molecular Weight (g/mol) | 185.06 |
| MDL Number | MFCD00000181 |
| SMILES | CC1=CC=C(C=C1)CBr |
| Synonym | 4-methylbenzyl bromide,1-bromomethyl-4-methylbenzene,p-xylyl bromide,p-methylbenzyl bromide,alpha-bromo-p-xylene,benzene, 1-bromomethyl-4-methyl,4-bromomethyl toluene,p-bromomethyl toluene,alpha-bromo-p-xylol,1-bromomethyl-4-methyl-benzene |
| IUPAC Name | 1-(bromomethyl)-4-methylbenzene |
| InChI Key | WZRKSPFYXUXINF-UHFFFAOYSA-N |
| Molecular Formula | C8H9Br |
3,5-Dinitroaniline, 98%
CAS: 618-87-1 MDL Number: MFCD00007263 InChI Key: MPBZUKLDHPOCLS-UHFFFAOYSA-N Synonym: benzenamine, 3,5-dinitro,aniline, 3,5-dinitro,unii-0ahr6k1n73,ccris 3109,3,5-dinitrophenylamine,3-5-dinitro-phenylamine,3,5-dinitroanilin,aniline,5-dinitro,acmc-209mx8,benzenamine,3,5-dinitro PubChem CID: 12068 IUPAC Name: 3,5-dinitroaniline SMILES: C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N
| PubChem CID | 12068 |
|---|---|
| CAS | 618-87-1 |
| MDL Number | MFCD00007263 |
| SMILES | C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N |
| Synonym | benzenamine, 3,5-dinitro,aniline, 3,5-dinitro,unii-0ahr6k1n73,ccris 3109,3,5-dinitrophenylamine,3-5-dinitro-phenylamine,3,5-dinitroanilin,aniline,5-dinitro,acmc-209mx8,benzenamine,3,5-dinitro |
| IUPAC Name | 3,5-dinitroaniline |
| InChI Key | MPBZUKLDHPOCLS-UHFFFAOYSA-N |
Iodobenzene, 98%
CAS: 591-50-4 Molecular Formula: C6H5I Molecular Weight (g/mol): 204.01 MDL Number: MFCD00001029 InChI Key: SNHMUERNLJLMHN-UHFFFAOYSA-N Synonym: benzene, iodo,phenyl iodide,benzene iodide,iodophenyl,iodinebenzol,iodo-benzene,phenyliodide,iodo benzene,unii-9hk5l7ybbr,1-iodobenzene PubChem CID: 11575 IUPAC Name: iodobenzene SMILES: IC1=CC=CC=C1
| PubChem CID | 11575 |
|---|---|
| CAS | 591-50-4 |
| Molecular Weight (g/mol) | 204.01 |
| MDL Number | MFCD00001029 |
| SMILES | IC1=CC=CC=C1 |
| Synonym | benzene, iodo,phenyl iodide,benzene iodide,iodophenyl,iodinebenzol,iodo-benzene,phenyliodide,iodo benzene,unii-9hk5l7ybbr,1-iodobenzene |
| IUPAC Name | iodobenzene |
| InChI Key | SNHMUERNLJLMHN-UHFFFAOYSA-N |
| Molecular Formula | C6H5I |
Mefenamic acid, 98%
CAS: 61-68-7 Molecular Formula: C15H15NO2 Molecular Weight (g/mol): 241.29 MDL Number: MFCD00051721 InChI Key: HYYBABOKPJLUIN-UHFFFAOYSA-N Synonym: mefenamic acid,ponstel,ponstan,2-2,3-dimethylphenyl amino benzoic acid,mephenamic acid,parkemed,coslan,mefacit,ponalar,methenamic acid PubChem CID: 4044 ChEBI: CHEBI:6717 IUPAC Name: 2-(2,3-dimethylanilino)benzoic acid SMILES: CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C
| PubChem CID | 4044 |
|---|---|
| CAS | 61-68-7 |
| Molecular Weight (g/mol) | 241.29 |
| ChEBI | CHEBI:6717 |
| MDL Number | MFCD00051721 |
| SMILES | CC1=C(C(=CC=C1)NC2=CC=CC=C2C(=O)O)C |
| Synonym | mefenamic acid,ponstel,ponstan,2-2,3-dimethylphenyl amino benzoic acid,mephenamic acid,parkemed,coslan,mefacit,ponalar,methenamic acid |
| IUPAC Name | 2-(2,3-dimethylanilino)benzoic acid |
| InChI Key | HYYBABOKPJLUIN-UHFFFAOYSA-N |
| Molecular Formula | C15H15NO2 |
3-Bromoaniline, 98%
CAS: 591-19-5 Molecular Formula: C6H6BrN Molecular Weight (g/mol): 172.03 MDL Number: MFCD00007757 InChI Key: DHYHYLGCQVVLOQ-UHFFFAOYSA-N Synonym: m-bromoaniline,benzenamine, 3-bromo,3-bromo aniline,m-aminobromobenzene,aniline, m-bromo,3-bromobenzenamine,3-bromophenylamine,bromoaniline 3-,3-bromo-benzenamine,3-bromo-phenylamine PubChem CID: 11562 IUPAC Name: 3-bromoaniline SMILES: NC1=CC=CC(Br)=C1
| PubChem CID | 11562 |
|---|---|
| CAS | 591-19-5 |
| Molecular Weight (g/mol) | 172.03 |
| MDL Number | MFCD00007757 |
| SMILES | NC1=CC=CC(Br)=C1 |
| Synonym | m-bromoaniline,benzenamine, 3-bromo,3-bromo aniline,m-aminobromobenzene,aniline, m-bromo,3-bromobenzenamine,3-bromophenylamine,bromoaniline 3-,3-bromo-benzenamine,3-bromo-phenylamine |
| IUPAC Name | 3-bromoaniline |
| InChI Key | DHYHYLGCQVVLOQ-UHFFFAOYSA-N |
| Molecular Formula | C6H6BrN |