Benzene and substituted derivatives
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4-Methoxybenzenediazonium Tetrafluoroborate 98.0+%, TCI America™
CAS: 459-64-3 Molecular Formula: C7H7BF4N2O Molecular Weight (g/mol): 221.95 MDL Number: MFCD00011897 InChI Key: CACFTKIREZJSIG-UHFFFAOYSA-J Synonym: 4-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzenediazoniumfluoroborate,4-methoxybenzene diazonium fluoroborate,acmc-1aeuk,ksc236e8f,4-methoxyphenyldiazonium tetrafluoroborate,p-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzene-1-diazonium; tetrafluoroboranuide PubChem CID: 517233 IUPAC Name: boron(3+) 4-methoxybenzene-1-diazonium tetrafluoride SMILES: [B+3].[F-].[F-].[F-].[F-].COC1=CC=C(C=C1)[N+]#N
| PubChem CID | 517233 |
|---|---|
| CAS | 459-64-3 |
| Molecular Weight (g/mol) | 221.95 |
| MDL Number | MFCD00011897 |
| SMILES | [B+3].[F-].[F-].[F-].[F-].COC1=CC=C(C=C1)[N+]#N |
| Synonym | 4-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzenediazoniumfluoroborate,4-methoxybenzene diazonium fluoroborate,acmc-1aeuk,ksc236e8f,4-methoxyphenyldiazonium tetrafluoroborate,p-methoxybenzenediazonium tetrafluoroborate,4-methoxybenzene-1-diazonium; tetrafluoroboranuide |
| IUPAC Name | boron(3+) 4-methoxybenzene-1-diazonium tetrafluoride |
| InChI Key | CACFTKIREZJSIG-UHFFFAOYSA-J |
| Molecular Formula | C7H7BF4N2O |
3-Formylbenzonitrile 98.0+%, TCI America™
CAS: 24964-64-5 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.134 MDL Number: MFCD00003344 InChI Key: HGZJJKZPPMFIBU-UHFFFAOYSA-N Synonym: 3-cyanobenzaldehyde,m-cyanobenzaldehyde,benzonitrile, 3-formyl,m-formylbenzonitrile,m-cyanobenazldehyde,3-cyano benzaldehyde,3-formyl-benzonitrile,3-formylbenzenecarbonitrile,3cyano-benzaldehyde,m-cyano benzaldehyde PubChem CID: 90670 IUPAC Name: 3-formylbenzonitrile SMILES: C1=CC(=CC(=C1)C=O)C#N
| PubChem CID | 90670 |
|---|---|
| CAS | 24964-64-5 |
| Molecular Weight (g/mol) | 131.134 |
| MDL Number | MFCD00003344 |
| SMILES | C1=CC(=CC(=C1)C=O)C#N |
| Synonym | 3-cyanobenzaldehyde,m-cyanobenzaldehyde,benzonitrile, 3-formyl,m-formylbenzonitrile,m-cyanobenazldehyde,3-cyano benzaldehyde,3-formyl-benzonitrile,3-formylbenzenecarbonitrile,3cyano-benzaldehyde,m-cyano benzaldehyde |
| IUPAC Name | 3-formylbenzonitrile |
| InChI Key | HGZJJKZPPMFIBU-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO |
3-Bromo-4-fluoroaniline 97.0+%, TCI America™
CAS: 656-64-4 Molecular Formula: C6H5BrFN Molecular Weight (g/mol): 190.015 MDL Number: MFCD03788559 InChI Key: KOWPUNQBGWIERF-UHFFFAOYSA-N Synonym: 3-bromo-4-fluoro aniline,benzenamine, 3-bromo-4-fluoro,3-bromo-4-fluorobenzenamine,3-bromo-4-fluorophenylamine,3-bromo-4-fluoro-aniline,3-bromo-4-fluoro-phenylamine,pubchem2924,acmc-209nrn,3-bromo-4-fluoraniline,3-bromo 4-fluoro-aniline PubChem CID: 2779286 IUPAC Name: 3-bromo-4-fluoroaniline SMILES: C1=CC(=C(C=C1N)Br)F
| PubChem CID | 2779286 |
|---|---|
| CAS | 656-64-4 |
| Molecular Weight (g/mol) | 190.015 |
| MDL Number | MFCD03788559 |
| SMILES | C1=CC(=C(C=C1N)Br)F |
| Synonym | 3-bromo-4-fluoro aniline,benzenamine, 3-bromo-4-fluoro,3-bromo-4-fluorobenzenamine,3-bromo-4-fluorophenylamine,3-bromo-4-fluoro-aniline,3-bromo-4-fluoro-phenylamine,pubchem2924,acmc-209nrn,3-bromo-4-fluoraniline,3-bromo 4-fluoro-aniline |
| IUPAC Name | 3-bromo-4-fluoroaniline |
| InChI Key | KOWPUNQBGWIERF-UHFFFAOYSA-N |
| Molecular Formula | C6H5BrFN |
3-(Dimethylamino)benzoic Acid 98.0+%, TCI America™
CAS: 99-64-9 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00002497 InChI Key: NEGFNJRAUMCZMY-UHFFFAOYSA-N Synonym: 3-dimethylamino benzoic acid,benzoic acid, 3-dimethylamino,m-dimethylamino benzoic acid,m-dimethylaminobenzoic acid,n,n-dimethyl-m-aminobenzoic acid,3-dimethylamino-benzoic acid,3-n,n-dimethylaminobenzoic acid,benzoic acid, m-dimethylamino,m-dimethylamino-benzoic acid PubChem CID: 66837 IUPAC Name: 3-(dimethylamino)benzoic acid SMILES: CN(C)C1=CC=CC(=C1)C(=O)O
| PubChem CID | 66837 |
|---|---|
| CAS | 99-64-9 |
| Molecular Weight (g/mol) | 165.192 |
| MDL Number | MFCD00002497 |
| SMILES | CN(C)C1=CC=CC(=C1)C(=O)O |
| Synonym | 3-dimethylamino benzoic acid,benzoic acid, 3-dimethylamino,m-dimethylamino benzoic acid,m-dimethylaminobenzoic acid,n,n-dimethyl-m-aminobenzoic acid,3-dimethylamino-benzoic acid,3-n,n-dimethylaminobenzoic acid,benzoic acid, m-dimethylamino,m-dimethylamino-benzoic acid |
| IUPAC Name | 3-(dimethylamino)benzoic acid |
| InChI Key | NEGFNJRAUMCZMY-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
2,6-Dichlorobenzyl Cyanide 98.0+%, TCI America™
CAS: 3215-64-3 Molecular Formula: C8H5Cl2N Molecular Weight (g/mol): 186.035 MDL Number: MFCD00001901 InChI Key: AOEJUUCUKRUCEF-UHFFFAOYSA-N Synonym: 2,6-dichlorophenylacetonitrile,2,6-dichlorobenzyl cyanide,2-2,6-dichlorophenyl acetonitrile,2,6-dichlorophenyl acetonitrile,2,6-dichlorobenzeneacetonitrile,benzeneacetonitrile, 2,6-dichloro,acetonitrile, 2,6-dichlorophenyl,2,6-dichloro-phenyl-acetonitrile,2-2,6-dichlorophenyl ethanenitrile PubChem CID: 76678 IUPAC Name: 2-(2,6-dichlorophenyl)acetonitrile SMILES: C1=CC(=C(C(=C1)Cl)CC#N)Cl
| PubChem CID | 76678 |
|---|---|
| CAS | 3215-64-3 |
| Molecular Weight (g/mol) | 186.035 |
| MDL Number | MFCD00001901 |
| SMILES | C1=CC(=C(C(=C1)Cl)CC#N)Cl |
| Synonym | 2,6-dichlorophenylacetonitrile,2,6-dichlorobenzyl cyanide,2-2,6-dichlorophenyl acetonitrile,2,6-dichlorophenyl acetonitrile,2,6-dichlorobenzeneacetonitrile,benzeneacetonitrile, 2,6-dichloro,acetonitrile, 2,6-dichlorophenyl,2,6-dichloro-phenyl-acetonitrile,2-2,6-dichlorophenyl ethanenitrile |
| IUPAC Name | 2-(2,6-dichlorophenyl)acetonitrile |
| InChI Key | AOEJUUCUKRUCEF-UHFFFAOYSA-N |
| Molecular Formula | C8H5Cl2N |
3-Methyldiphenylamine 98.0+%, TCI America™
CAS: 1205-64-7 Molecular Formula: C13H13N Molecular Weight (g/mol): 183.254 MDL Number: MFCD00008530 InChI Key: TWPMMLHBHPYSMT-UHFFFAOYSA-N Synonym: 3-methyldiphenylamine,n-phenyl-m-toluidine,benzenamine, 3-methyl-n-phenyl,n-phenyl-3-methylaniline,3-methyl diphenylamine,3-methyl diphenyl amine,3-methyl-n-phenyl-aniline,n-3-methylphenyl-aniline,3-methylphenyl phenylamine,n-3-methylphenyl aniline PubChem CID: 14569 IUPAC Name: 3-methyl-N-phenylaniline SMILES: CC1=CC(=CC=C1)NC2=CC=CC=C2
| PubChem CID | 14569 |
|---|---|
| CAS | 1205-64-7 |
| Molecular Weight (g/mol) | 183.254 |
| MDL Number | MFCD00008530 |
| SMILES | CC1=CC(=CC=C1)NC2=CC=CC=C2 |
| Synonym | 3-methyldiphenylamine,n-phenyl-m-toluidine,benzenamine, 3-methyl-n-phenyl,n-phenyl-3-methylaniline,3-methyl diphenylamine,3-methyl diphenyl amine,3-methyl-n-phenyl-aniline,n-3-methylphenyl-aniline,3-methylphenyl phenylamine,n-3-methylphenyl aniline |
| IUPAC Name | 3-methyl-N-phenylaniline |
| InChI Key | TWPMMLHBHPYSMT-UHFFFAOYSA-N |
| Molecular Formula | C13H13N |
Ethyl 3-Carbamimidoylamino-4-methylbenzoate Nitrate 97.0+%, TCI America™
CAS: 641569-96-2 Molecular Formula: C11H16N4O5 Molecular Weight (g/mol): 284.27 MDL Number: MFCD11100711 InChI Key: YQMZYKJPGMVZJL-UHFFFAOYSA-N Synonym: 3-Carbamimidoylamino-4-methylbenzoic Acid Ethyl Ester Nitrate, Ethyl 3-Carbamimidoylamino-p-toluate Nitrate, 3-Carbamimidoylamino-p-toluic Acid Ethyl Ester Nitrate PubChem CID: 44181764 IUPAC Name: ethyl 3-[(diaminomethylidene)amino]-4-methylbenzoate; nitric acid SMILES: O[N+]([O-])=O.CCOC(=O)C1=CC(N=C(N)N)=C(C)C=C1
| PubChem CID | 44181764 |
|---|---|
| CAS | 641569-96-2 |
| Molecular Weight (g/mol) | 284.27 |
| MDL Number | MFCD11100711 |
| SMILES | O[N+]([O-])=O.CCOC(=O)C1=CC(N=C(N)N)=C(C)C=C1 |
| Synonym | 3-Carbamimidoylamino-4-methylbenzoic Acid Ethyl Ester Nitrate, Ethyl 3-Carbamimidoylamino-p-toluate Nitrate, 3-Carbamimidoylamino-p-toluic Acid Ethyl Ester Nitrate |
| IUPAC Name | ethyl 3-[(diaminomethylidene)amino]-4-methylbenzoate; nitric acid |
| InChI Key | YQMZYKJPGMVZJL-UHFFFAOYSA-N |
| Molecular Formula | C11H16N4O5 |
Trimethylene Bis(4-aminobenzoate) 98.0+%, TCI America™
CAS: 57609-64-0 Molecular Formula: C17H18N2O4 Molecular Weight (g/mol): 314.34 MDL Number: MFCD00129765 InChI Key: YPACMOORZSDQDQ-UHFFFAOYSA-N Synonym: 1,3-Bis(4-aminobenzoyloxy)propane, 1,3-Propanediol Bis(4-aminobenzoate) PubChem CID: 93312 IUPAC Name: 3-(4-aminobenzoyloxy)propyl 4-aminobenzoate SMILES: NC1=CC=C(C=C1)C(=O)OCCCOC(=O)C1=CC=C(N)C=C1
| PubChem CID | 93312 |
|---|---|
| CAS | 57609-64-0 |
| Molecular Weight (g/mol) | 314.34 |
| MDL Number | MFCD00129765 |
| SMILES | NC1=CC=C(C=C1)C(=O)OCCCOC(=O)C1=CC=C(N)C=C1 |
| Synonym | 1,3-Bis(4-aminobenzoyloxy)propane, 1,3-Propanediol Bis(4-aminobenzoate) |
| IUPAC Name | 3-(4-aminobenzoyloxy)propyl 4-aminobenzoate |
| InChI Key | YPACMOORZSDQDQ-UHFFFAOYSA-N |
| Molecular Formula | C17H18N2O4 |
3-Iodo-4-methylaniline 98.0+%, TCI America™
CAS: 35944-64-0 Molecular Formula: C7H8IN Molecular Weight (g/mol): 233.05 MDL Number: MFCD00047843 InChI Key: RRUDMHNAMZFNEK-UHFFFAOYSA-N Synonym: 3-iodo-p-toluidine,benzenamine, 3-iodo-4-methyl,4-amino-2-iodotoluene,p-toluidine, 3-iodo,3-iodo-4-methyl-aniline,benzenamine, 3-iodo-4-methyl-9ci,3-iodo-4-methyl-phenylamine,pubchem3314,3-iodo-4-methyl aniline,acmc-209ik4 PubChem CID: 118889 IUPAC Name: 3-iodo-4-methylaniline SMILES: CC1=CC=C(N)C=C1I
| PubChem CID | 118889 |
|---|---|
| CAS | 35944-64-0 |
| Molecular Weight (g/mol) | 233.05 |
| MDL Number | MFCD00047843 |
| SMILES | CC1=CC=C(N)C=C1I |
| Synonym | 3-iodo-p-toluidine,benzenamine, 3-iodo-4-methyl,4-amino-2-iodotoluene,p-toluidine, 3-iodo,3-iodo-4-methyl-aniline,benzenamine, 3-iodo-4-methyl-9ci,3-iodo-4-methyl-phenylamine,pubchem3314,3-iodo-4-methyl aniline,acmc-209ik4 |
| IUPAC Name | 3-iodo-4-methylaniline |
| InChI Key | RRUDMHNAMZFNEK-UHFFFAOYSA-N |
| Molecular Formula | C7H8IN |
2,2'-Dithiobis(6-fluorobenzoic Acid) 98.0+%, TCI America™
CAS: 147027-64-3 Molecular Formula: C14H8F2O4S2 Molecular Weight (g/mol): 342.331 InChI Key: QEONSZINEMHFPH-UHFFFAOYSA-N Synonym: Bis(2-carboxy-3-fluorophenyl) Disulfide PubChem CID: 9974633 IUPAC Name: 2-[(2-carboxy-3-fluorophenyl)disulfanyl]-6-fluorobenzoic acid SMILES: C1=CC(=C(C(=C1)SSC2=CC=CC(=C2C(=O)O)F)C(=O)O)F
| PubChem CID | 9974633 |
|---|---|
| CAS | 147027-64-3 |
| Molecular Weight (g/mol) | 342.331 |
| SMILES | C1=CC(=C(C(=C1)SSC2=CC=CC(=C2C(=O)O)F)C(=O)O)F |
| Synonym | Bis(2-carboxy-3-fluorophenyl) Disulfide |
| IUPAC Name | 2-[(2-carboxy-3-fluorophenyl)disulfanyl]-6-fluorobenzoic acid |
| InChI Key | QEONSZINEMHFPH-UHFFFAOYSA-N |
| Molecular Formula | C14H8F2O4S2 |
3,6-Bis(bromomethyl)durene 98.0+%, TCI America™
CAS: 35168-64-0 Molecular Formula: C12H16Br2 Molecular Weight (g/mol): 320.07 MDL Number: MFCD01114746 InChI Key: OREPDRBSWICSCF-UHFFFAOYSA-N Synonym: 1,4-Bis(bromomethyl)-2,3,5,6-tetramethylbenzene PubChem CID: 2752645 IUPAC Name: 1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene SMILES: CC1=C(C)C(CBr)=C(C)C(C)=C1CBr
| PubChem CID | 2752645 |
|---|---|
| CAS | 35168-64-0 |
| Molecular Weight (g/mol) | 320.07 |
| MDL Number | MFCD01114746 |
| SMILES | CC1=C(C)C(CBr)=C(C)C(C)=C1CBr |
| Synonym | 1,4-Bis(bromomethyl)-2,3,5,6-tetramethylbenzene |
| IUPAC Name | 1,4-bis(bromomethyl)-2,3,5,6-tetramethylbenzene |
| InChI Key | OREPDRBSWICSCF-UHFFFAOYSA-N |
| Molecular Formula | C12H16Br2 |
Diphenyl Chlorophosphate 95.0+%, TCI America™
CAS: 2524-64-3 Molecular Formula: C12H10ClO3P Molecular Weight (g/mol): 268.633 MDL Number: MFCD00003030 InChI Key: BHIIGRBMZRSDRI-UHFFFAOYSA-N Synonym: diphenyl chlorophosphate,diphenyl phosphorochloridate,diphenylchlorophosphate,phosphorochloridic acid, diphenyl ester,chlorodiphenyl phosphate,o,o-diphenyl chlorophosphate,chlorodiphenoxyphosphine oxide,diphenoxychlorophosphine oxide,diphenyl chlorophosphonate,diphenylphosphoric acid monochloride PubChem CID: 75654 IUPAC Name: [chloro(phenoxy)phosphoryl]oxybenzene SMILES: C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)Cl
| PubChem CID | 75654 |
|---|---|
| CAS | 2524-64-3 |
| Molecular Weight (g/mol) | 268.633 |
| MDL Number | MFCD00003030 |
| SMILES | C1=CC=C(C=C1)OP(=O)(OC2=CC=CC=C2)Cl |
| Synonym | diphenyl chlorophosphate,diphenyl phosphorochloridate,diphenylchlorophosphate,phosphorochloridic acid, diphenyl ester,chlorodiphenyl phosphate,o,o-diphenyl chlorophosphate,chlorodiphenoxyphosphine oxide,diphenoxychlorophosphine oxide,diphenyl chlorophosphonate,diphenylphosphoric acid monochloride |
| IUPAC Name | [chloro(phenoxy)phosphoryl]oxybenzene |
| InChI Key | BHIIGRBMZRSDRI-UHFFFAOYSA-N |
| Molecular Formula | C12H10ClO3P |
2,3,5,6-Tetrafluoro-1,4-phenylenediamine 98.0+%, TCI America™
CAS: 1198-64-7 Molecular Formula: C6H4F4N2 Molecular Weight (g/mol): 180.11 MDL Number: MFCD00039767 InChI Key: FVFYRXJKYAVFSB-UHFFFAOYSA-N Synonym: 1,4-Diamino-2,3,5,6-tetrafluorobenzene PubChem CID: 70979 IUPAC Name: tetrafluorobenzene-1,4-diamine SMILES: NC1=C(F)C(F)=C(N)C(F)=C1F
| PubChem CID | 70979 |
|---|---|
| CAS | 1198-64-7 |
| Molecular Weight (g/mol) | 180.11 |
| MDL Number | MFCD00039767 |
| SMILES | NC1=C(F)C(F)=C(N)C(F)=C1F |
| Synonym | 1,4-Diamino-2,3,5,6-tetrafluorobenzene |
| IUPAC Name | tetrafluorobenzene-1,4-diamine |
| InChI Key | FVFYRXJKYAVFSB-UHFFFAOYSA-N |
| Molecular Formula | C6H4F4N2 |
4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde 97.0+%, TCI America™
CAS: 128376-64-7 Molecular Formula: C13H17BO3 Molecular Weight (g/mol): 232.09 MDL Number: MFCD04972375 InChI Key: DMBMXJJGPXADPO-UHFFFAOYSA-N Synonym: 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylphenylboronic acid pinacol ester,4-formylbenzeneboronic acid, pinacol ester,4-formylphenylboronic acid pinacolate,4-formylphenylboronic acid pinacol cyclic ester,4-formylphenylboronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylbenzeneboronic acid pinacol ester,benzaldehyde, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-formylphenylboronic acid, pinacol cyclic ester PubChem CID: 2769536 IUPAC Name: 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde SMILES: CC1(C)OB(OC1(C)C)C1=CC=C(C=O)C=C1
| PubChem CID | 2769536 |
|---|---|
| CAS | 128376-64-7 |
| Molecular Weight (g/mol) | 232.09 |
| MDL Number | MFCD04972375 |
| SMILES | CC1(C)OB(OC1(C)C)C1=CC=C(C=O)C=C1 |
| Synonym | 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylphenylboronic acid pinacol ester,4-formylbenzeneboronic acid, pinacol ester,4-formylphenylboronic acid pinacolate,4-formylphenylboronic acid pinacol cyclic ester,4-formylphenylboronic acid, pinacol ester,4-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,4-formylbenzeneboronic acid pinacol ester,benzaldehyde, 4-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl,4-formylphenylboronic acid, pinacol cyclic ester |
| IUPAC Name | 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
| InChI Key | DMBMXJJGPXADPO-UHFFFAOYSA-N |
| Molecular Formula | C13H17BO3 |
eMolecules 3-Cyanobenzaldehyde98.5% | 24964-64-5 | 1G
Chem-Impex | 3-Cyanobenzaldehyde98.5% | 1G | 24964-64-5 | MFCD05854255 | MW:126.16
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