Benzene and substituted derivatives
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4,4'-Diaminodiphenyl sulfone, 98%
CAS: 80-08-0 Molecular Formula: C12H12N2O2S Molecular Weight (g/mol): 248.3 MDL Number: MFCD00007887 InChI Key: MQJKPEGWNLWLTK-UHFFFAOYSA-N Synonym: dapsone,diaphenylsulfone,4,4'-diaminodiphenyl sulfone,dapson,4,4'-sulfonyldianiline,diaphenylsulfon,sulfona,4-aminophenyl sulfone,avlosulfone,diphenasone PubChem CID: 2955 ChEBI: CHEBI:4325 IUPAC Name: 4-(4-aminophenyl)sulfonylaniline SMILES: C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N
| PubChem CID | 2955 |
|---|---|
| CAS | 80-08-0 |
| Molecular Weight (g/mol) | 248.3 |
| ChEBI | CHEBI:4325 |
| MDL Number | MFCD00007887 |
| SMILES | C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N |
| Synonym | dapsone,diaphenylsulfone,4,4'-diaminodiphenyl sulfone,dapson,4,4'-sulfonyldianiline,diaphenylsulfon,sulfona,4-aminophenyl sulfone,avlosulfone,diphenasone |
| IUPAC Name | 4-(4-aminophenyl)sulfonylaniline |
| InChI Key | MQJKPEGWNLWLTK-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O2S |
4-Methoxy-2-nitroaniline, 99%
CAS: 96-96-8 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.152 MDL Number: MFCD00007152 InChI Key: QFMJFXFXQAFGBO-UHFFFAOYSA-N Synonym: 2-nitro-4-methoxyaniline,4-amino-3-nitroanisole,fast bordeaux gp,2-nitro-p-anisidine,azobase nas,devol bordeaux b,bordeaux gp base,bordeaux gp salt,fast bordeaux gp base,fast bordeaux gp salt PubChem CID: 66793 ChEBI: CHEBI:48973 IUPAC Name: 4-methoxy-2-nitroaniline SMILES: COC1=CC(=C(C=C1)N)[N+](=O)[O-]
| PubChem CID | 66793 |
|---|---|
| CAS | 96-96-8 |
| Molecular Weight (g/mol) | 168.152 |
| ChEBI | CHEBI:48973 |
| MDL Number | MFCD00007152 |
| SMILES | COC1=CC(=C(C=C1)N)[N+](=O)[O-] |
| Synonym | 2-nitro-4-methoxyaniline,4-amino-3-nitroanisole,fast bordeaux gp,2-nitro-p-anisidine,azobase nas,devol bordeaux b,bordeaux gp base,bordeaux gp salt,fast bordeaux gp base,fast bordeaux gp salt |
| IUPAC Name | 4-methoxy-2-nitroaniline |
| InChI Key | QFMJFXFXQAFGBO-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O3 |
2-Nitro-4-(trifluoromethyl)aniline, 98%
CAS: 400-98-6 Molecular Formula: C7H5F3N2O2 Molecular Weight (g/mol): 206.124 MDL Number: MFCD00007155 InChI Key: ATXBGHLILIABGX-UHFFFAOYSA-N Synonym: 2-nitro-4-trifluoromethyl aniline,4-amino-3-nitrobenzotrifluoride,benzenamine, 2-nitro-4-trifluoromethyl,alpha,alpha,alpha-trifluoro-2-nitro-p-toluidine,4-trifluoromethyl 2-nitroaniline,4-amino-3-nitro benzotrifluoride,4-amino-3-nitrobenzo trifluoride,aniline, 2-nitro-4-trifluoromethyl,2-nitro-4-trifluoromethyl phenylamine,3-nitro-4-aminobenzotrifluoride PubChem CID: 67865 IUPAC Name: 2-nitro-4-(trifluoromethyl)aniline SMILES: C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N
| PubChem CID | 67865 |
|---|---|
| CAS | 400-98-6 |
| Molecular Weight (g/mol) | 206.124 |
| MDL Number | MFCD00007155 |
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])N |
| Synonym | 2-nitro-4-trifluoromethyl aniline,4-amino-3-nitrobenzotrifluoride,benzenamine, 2-nitro-4-trifluoromethyl,alpha,alpha,alpha-trifluoro-2-nitro-p-toluidine,4-trifluoromethyl 2-nitroaniline,4-amino-3-nitro benzotrifluoride,4-amino-3-nitrobenzo trifluoride,aniline, 2-nitro-4-trifluoromethyl,2-nitro-4-trifluoromethyl phenylamine,3-nitro-4-aminobenzotrifluoride |
| IUPAC Name | 2-nitro-4-(trifluoromethyl)aniline |
| InChI Key | ATXBGHLILIABGX-UHFFFAOYSA-N |
| Molecular Formula | C7H5F3N2O2 |
Fluorobenzene, 99%
CAS: 462-06-6 Molecular Formula: C6H5F Molecular Weight (g/mol): 96.10 MDL Number: MFCD00000280 InChI Key: PYLWMHQQBFSUBP-UHFFFAOYSA-N Synonym: benzene, fluoro,monofluorobenzene,phenyl fluoride,fluorbenzol,fluoro-benzene,4-fluorobenzene,unii-g3tsz68k12,fluoranylbenzene,fluorobenzenes,1,2,3,4,5-pentadeuterio-6-fluorobenzene PubChem CID: 10008 ChEBI: CHEBI:5115 IUPAC Name: fluorobenzene SMILES: FC1=CC=CC=C1
| PubChem CID | 10008 |
|---|---|
| CAS | 462-06-6 |
| Molecular Weight (g/mol) | 96.10 |
| ChEBI | CHEBI:5115 |
| MDL Number | MFCD00000280 |
| SMILES | FC1=CC=CC=C1 |
| Synonym | benzene, fluoro,monofluorobenzene,phenyl fluoride,fluorbenzol,fluoro-benzene,4-fluorobenzene,unii-g3tsz68k12,fluoranylbenzene,fluorobenzenes,1,2,3,4,5-pentadeuterio-6-fluorobenzene |
| IUPAC Name | fluorobenzene |
| InChI Key | PYLWMHQQBFSUBP-UHFFFAOYSA-N |
| Molecular Formula | C6H5F |
4-Methoxybenzyl alcohol, 98%
CAS: 105-13-5 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00004653 InChI Key: MSHFRERJPWKJFX-UHFFFAOYSA-N Synonym: 4-methoxybenzyl alcohol,4-methoxyphenyl methanol,anise alcohol,anisyl alcohol,p-anisyl alcohol,p-methoxybenzyl alcohol,benzenemethanol, 4-methoxy,anisic alcohol,p-anisol alcohol,4-methoxybenzenemethanol PubChem CID: 7738 ChEBI: CHEBI:86918 IUPAC Name: (4-methoxyphenyl)methanol SMILES: COC1=CC=C(CO)C=C1
| PubChem CID | 7738 |
|---|---|
| CAS | 105-13-5 |
| Molecular Weight (g/mol) | 138.17 |
| ChEBI | CHEBI:86918 |
| MDL Number | MFCD00004653 |
| SMILES | COC1=CC=C(CO)C=C1 |
| Synonym | 4-methoxybenzyl alcohol,4-methoxyphenyl methanol,anise alcohol,anisyl alcohol,p-anisyl alcohol,p-methoxybenzyl alcohol,benzenemethanol, 4-methoxy,anisic alcohol,p-anisol alcohol,4-methoxybenzenemethanol |
| IUPAC Name | (4-methoxyphenyl)methanol |
| InChI Key | MSHFRERJPWKJFX-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
Benzyl bromide, 98%
CAS: 100-39-0 MDL Number: MFCD00000172 InChI Key: AGEZXYOZHKGVCM-UHFFFAOYSA-N Synonym: benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite PubChem CID: 7498 ChEBI: CHEBI:59858 IUPAC Name: bromomethylbenzene SMILES: C1=CC=C(C=C1)CBr
| PubChem CID | 7498 |
|---|---|
| CAS | 100-39-0 |
| ChEBI | CHEBI:59858 |
| MDL Number | MFCD00000172 |
| SMILES | C1=CC=C(C=C1)CBr |
| Synonym | benzyl bromide,bromomethyl benzene,alpha-bromotoluene,bromophenylmethane,benzene, bromomethyl,phenylmethyl bromide,1-bromotoluene,benzylbromide,cyclite |
| IUPAC Name | bromomethylbenzene |
| InChI Key | AGEZXYOZHKGVCM-UHFFFAOYSA-N |
3-Fluoroaniline, 98+%
CAS: 372-19-0 Molecular Formula: C6H6FN Molecular Weight (g/mol): 111.119 MDL Number: MFCD00007758 InChI Key: QZVQQUVWFIZUBQ-UHFFFAOYSA-N Synonym: m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech PubChem CID: 9742 ChEBI: CHEBI:27873 IUPAC Name: 3-fluoroaniline SMILES: C1=CC(=CC(=C1)F)N
| PubChem CID | 9742 |
|---|---|
| CAS | 372-19-0 |
| Molecular Weight (g/mol) | 111.119 |
| ChEBI | CHEBI:27873 |
| MDL Number | MFCD00007758 |
| SMILES | C1=CC(=CC(=C1)F)N |
| Synonym | m-fluoroaniline,1-amino-3-fluorobenzene,3-fluoranilin,benzenamine, 3-fluoro,3-fluorobenzenamine,3-fluoro-phenylamine,aniline, 3-fluoro,3-fluorophenylamine,aniline, m-fluoro,3-fluoranilin czech |
| IUPAC Name | 3-fluoroaniline |
| InChI Key | QZVQQUVWFIZUBQ-UHFFFAOYSA-N |
| Molecular Formula | C6H6FN |
2-Fluorobenzylamine, 96%
CAS: 89-99-6 Molecular Formula: C7H8FN Molecular Weight (g/mol): 125.15 MDL Number: MFCD00008107 InChI Key: LRFWYBZWRQWZIM-UHFFFAOYSA-N Synonym: 2-fluorobenzylamine,2-fluorophenyl methanamine,benzenemethanamine, 2-fluoro,o-fluorobenzylamine,benzylamine, o-fluoro,1-2-fluorophenyl methanamine,2-fluoro-benzylamine,2-fluorobenzyl amine,2-fluorophenyl methylamine,o-fluorobenzyl amine PubChem CID: 66649 IUPAC Name: (2-fluorophenyl)methanamine SMILES: C1=CC=C(C(=C1)CN)F
| PubChem CID | 66649 |
|---|---|
| CAS | 89-99-6 |
| Molecular Weight (g/mol) | 125.15 |
| MDL Number | MFCD00008107 |
| SMILES | C1=CC=C(C(=C1)CN)F |
| Synonym | 2-fluorobenzylamine,2-fluorophenyl methanamine,benzenemethanamine, 2-fluoro,o-fluorobenzylamine,benzylamine, o-fluoro,1-2-fluorophenyl methanamine,2-fluoro-benzylamine,2-fluorobenzyl amine,2-fluorophenyl methylamine,o-fluorobenzyl amine |
| IUPAC Name | (2-fluorophenyl)methanamine |
| InChI Key | LRFWYBZWRQWZIM-UHFFFAOYSA-N |
| Molecular Formula | C7H8FN |
3,4,5-Trimethoxyaniline, 97%
CAS: 24313-88-0 Molecular Formula: C9H13NO3 Molecular Weight (g/mol): 183.21 MDL Number: MFCD00008393 InChI Key: XEFRNCLPPFDWAC-UHFFFAOYSA-N Synonym: benzenamine, 3,4,5-trimethoxy,3,4,5-trimethoxy aniline,3,4,5-trimethoxybenzenamine,3,4,5-trimethoxy-phenylamine,3,4,5-trimethoxyphenylamine,3,5-trimethoxyaniline,3,4,5-trimethoxyanilin,acmc-1cdy7,intermediates-zcf02654,3,4,5-trimethoxyaniline PubChem CID: 32285 IUPAC Name: 3,4,5-trimethoxyaniline SMILES: COC1=CC(=CC(=C1OC)OC)N
| PubChem CID | 32285 |
|---|---|
| CAS | 24313-88-0 |
| Molecular Weight (g/mol) | 183.21 |
| MDL Number | MFCD00008393 |
| SMILES | COC1=CC(=CC(=C1OC)OC)N |
| Synonym | benzenamine, 3,4,5-trimethoxy,3,4,5-trimethoxy aniline,3,4,5-trimethoxybenzenamine,3,4,5-trimethoxy-phenylamine,3,4,5-trimethoxyphenylamine,3,5-trimethoxyaniline,3,4,5-trimethoxyanilin,acmc-1cdy7,intermediates-zcf02654,3,4,5-trimethoxyaniline |
| IUPAC Name | 3,4,5-trimethoxyaniline |
| InChI Key | XEFRNCLPPFDWAC-UHFFFAOYSA-N |
| Molecular Formula | C9H13NO3 |
3,4-Dimethoxybenzoic acid, 99+%
CAS: 93-07-2 Molecular Formula: C9H10O4 Molecular Weight (g/mol): 182.175 MDL Number: MFCD00002500 InChI Key: DAUAQNGYDSHRET-UHFFFAOYSA-N Synonym: veratric acid,benzoic acid, 3,4-dimethoxy,dimethylprotocatechuic acid,veratrylic acid,3,4-dimethylprotocatechuic acid,veratrumenoic acid,3,4-dimethoxy-benzoic acid,unii-1yy04e7rr4,3,4-dimethoxybenzoes PubChem CID: 7121 ChEBI: CHEBI:296881 IUPAC Name: 3,4-dimethoxybenzoic acid SMILES: COC1=C(C=C(C=C1)C(=O)O)OC
| PubChem CID | 7121 |
|---|---|
| CAS | 93-07-2 |
| Molecular Weight (g/mol) | 182.175 |
| ChEBI | CHEBI:296881 |
| MDL Number | MFCD00002500 |
| SMILES | COC1=C(C=C(C=C1)C(=O)O)OC |
| Synonym | veratric acid,benzoic acid, 3,4-dimethoxy,dimethylprotocatechuic acid,veratrylic acid,3,4-dimethylprotocatechuic acid,veratrumenoic acid,3,4-dimethoxy-benzoic acid,unii-1yy04e7rr4,3,4-dimethoxybenzoes |
| IUPAC Name | 3,4-dimethoxybenzoic acid |
| InChI Key | DAUAQNGYDSHRET-UHFFFAOYSA-N |
| Molecular Formula | C9H10O4 |
2-Aminoterephthalic acid, 98.5%, Thermo Scientific Chemicals
CAS: 10312-55-7 Molecular Formula: C8H5NO4 Molecular Weight (g/mol): 179.13 MDL Number: MFCD00134536 InChI Key: GPNNOCMCNFXRAO-UHFFFAOYSA-L Synonym: aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751 PubChem CID: 2724822 IUPAC Name: 2-aminoterephthalic acid SMILES: NC1=CC(=CC=C1C([O-])=O)C([O-])=O
| PubChem CID | 2724822 |
|---|---|
| CAS | 10312-55-7 |
| Molecular Weight (g/mol) | 179.13 |
| MDL Number | MFCD00134536 |
| SMILES | NC1=CC(=CC=C1C([O-])=O)C([O-])=O |
| Synonym | aminoterephthalic acid,2-aminobenzene-1,4-dicarboxylic acid,2-amino-1,4-benzenedicarboxylic acid,4-carboxyanthranilic acid,1,4-benzenedicarboxylic acid, 2-amino,2-aminoterephthalic,aminoterephthalicacid,2,5-dicarboxyaniline,2-aminoterephtalic acid,timtec-bb sbb006751 |
| IUPAC Name | 2-aminoterephthalic acid |
| InChI Key | GPNNOCMCNFXRAO-UHFFFAOYSA-L |
| Molecular Formula | C8H5NO4 |
2-Chloro-3-nitrobenzoic acid, 98%
CAS: 3970-35-2 Molecular Formula: C7H4ClNO4 Molecular Weight (g/mol): 201.57 MDL Number: MFCD00007069 InChI Key: JRQDVRIQJJPHEQ-UHFFFAOYSA-N Synonym: 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid PubChem CID: 19870 SMILES: C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O
| PubChem CID | 19870 |
|---|---|
| CAS | 3970-35-2 |
| Molecular Weight (g/mol) | 201.57 |
| MDL Number | MFCD00007069 |
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)C(=O)O |
| Synonym | 2-chloro-3-nitrobenzoic acid,2-chloro-3-nitro-benzoic acid,2-chloro-3-nitrobenzoicacid,benzoic acid, 2-chloro-3-nitro,2-chloro-3-carboxynitrobenzene,nitrochlorbenzoesaure,pubchem2100,acmc-1ctvl,2-chloro-3-nitrobenzic acid,2-chloro-3-nitrobezoic acid |
| InChI Key | JRQDVRIQJJPHEQ-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClNO4 |
1,2-Difluorobenzene, 98+%
CAS: 367-11-3 Molecular Formula: C6H4F2 Molecular Weight (g/mol): 114.10 MDL Number: MFCD00000284 InChI Key: GOYDNIKZWGIXJT-UHFFFAOYSA-N Synonym: o-difluorobenzene,benzene, 1,2-difluoro,benzene, o-difluoro,ortho-difluorobenzene,o-difluoro benzene,difluorobenzene,1,2-difluoro-benzene,unii-aw7qgmw29c,aw7qgmw29c,0-difluorobenzene PubChem CID: 9706 ChEBI: CHEBI:38583 IUPAC Name: 1,2-difluorobenzene SMILES: FC1=CC=CC=C1F
| PubChem CID | 9706 |
|---|---|
| CAS | 367-11-3 |
| Molecular Weight (g/mol) | 114.10 |
| ChEBI | CHEBI:38583 |
| MDL Number | MFCD00000284 |
| SMILES | FC1=CC=CC=C1F |
| Synonym | o-difluorobenzene,benzene, 1,2-difluoro,benzene, o-difluoro,ortho-difluorobenzene,o-difluoro benzene,difluorobenzene,1,2-difluoro-benzene,unii-aw7qgmw29c,aw7qgmw29c,0-difluorobenzene |
| IUPAC Name | 1,2-difluorobenzene |
| InChI Key | GOYDNIKZWGIXJT-UHFFFAOYSA-N |
| Molecular Formula | C6H4F2 |
2,2-Bis[4-(4-aminophenoxy)phenyl]propane, 98%
CAS: 13080-86-9 Molecular Formula: C27H26N2O2 Molecular Weight (g/mol): 410.517 MDL Number: MFCD00039152 InChI Key: KMKWGXGSGPYISJ-UHFFFAOYSA-N Synonym: 2,2-bis 4-4-aminophenoxy phenyl propane,4,4'-propane-2,2-diylbis 4,1-phenylene bis oxy dianiline,2,2'-bis 4-aminophenoxyphenyl propane,benzenamine, 4,4'-1-methylethylidene bis 4,1-phenyleneoxy bis,4,4'-isopropylidenebis 4,1-phenyleneoxy dianiline,4,4'-4,4'-isopropylidenediphenyl-1,1'-diyldioxy dianiline,bis 4-4-aminophenoxy phenyl dimethyl methane,4,4'-1-methylethylidene bis 4,1-phenyleneoxy bisbenzenamine PubChem CID: 83119 IUPAC Name: 4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline SMILES: CC(C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N)C3=CC=C(C=C3)OC4=CC=C(C=C4)N
| PubChem CID | 83119 |
|---|---|
| CAS | 13080-86-9 |
| Molecular Weight (g/mol) | 410.517 |
| MDL Number | MFCD00039152 |
| SMILES | CC(C)(C1=CC=C(C=C1)OC2=CC=C(C=C2)N)C3=CC=C(C=C3)OC4=CC=C(C=C4)N |
| Synonym | 2,2-bis 4-4-aminophenoxy phenyl propane,4,4'-propane-2,2-diylbis 4,1-phenylene bis oxy dianiline,2,2'-bis 4-aminophenoxyphenyl propane,benzenamine, 4,4'-1-methylethylidene bis 4,1-phenyleneoxy bis,4,4'-isopropylidenebis 4,1-phenyleneoxy dianiline,4,4'-4,4'-isopropylidenediphenyl-1,1'-diyldioxy dianiline,bis 4-4-aminophenoxy phenyl dimethyl methane,4,4'-1-methylethylidene bis 4,1-phenyleneoxy bisbenzenamine |
| IUPAC Name | 4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline |
| InChI Key | KMKWGXGSGPYISJ-UHFFFAOYSA-N |
| Molecular Formula | C27H26N2O2 |
n-Propyl 4-hydroxybenzoate, 99+%
CAS: 94-13-3 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002354 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N Synonym: propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept PubChem CID: 7175 ChEBI: CHEBI:32063 IUPAC Name: propyl 4-hydroxybenzoate SMILES: CCCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 7175 |
|---|---|
| CAS | 94-13-3 |
| Molecular Weight (g/mol) | 180.203 |
| ChEBI | CHEBI:32063 |
| MDL Number | MFCD00002354 |
| SMILES | CCCOC(=O)C1=CC=C(C=C1)O |
| Synonym | propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept |
| IUPAC Name | propyl 4-hydroxybenzoate |
| InChI Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |