Benzene and substituted derivatives
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2,6-Dibromo-1,4-phenylenediamine 98.0+%, TCI America™
CAS: 29213-03-4 Molecular Formula: C6H6Br2N2 Molecular Weight (g/mol): 265.94 MDL Number: MFCD02575406 InChI Key: NIXNGYGWQMXMCA-UHFFFAOYSA-N Synonym: 2,5-Diamino-1,3-dibromobenzene PubChem CID: 653341 IUPAC Name: 2,6-dibromobenzene-1,4-diamine SMILES: NC1=CC(Br)=C(N)C(Br)=C1
| PubChem CID | 653341 |
|---|---|
| CAS | 29213-03-4 |
| Molecular Weight (g/mol) | 265.94 |
| MDL Number | MFCD02575406 |
| SMILES | NC1=CC(Br)=C(N)C(Br)=C1 |
| Synonym | 2,5-Diamino-1,3-dibromobenzene |
| IUPAC Name | 2,6-dibromobenzene-1,4-diamine |
| InChI Key | NIXNGYGWQMXMCA-UHFFFAOYSA-N |
| Molecular Formula | C6H6Br2N2 |
2,6-Dichlorobenzoic Acid 98.0+%, TCI America™
CAS: 50-30-6 Molecular Formula: C7H4Cl2O2 Molecular Weight (g/mol): 191.01 MDL Number: MFCD00002418 InChI Key: MRUDNSFOFOQZDA-UHFFFAOYSA-N Synonym: benzoic acid, 2,6-dichloro,2,6-dichloro-benzoic acid,unii-634ri764qt,2,6 dichlorobenzoic acid,2,6-dichlorobenzoicacid,2,6-dichloro-benzoicacid,ccris 8610,pubchem20028,acmc-1auop,2.6-dichlorobenzoic acid PubChem CID: 5758 ChEBI: CHEBI:48623 IUPAC Name: 2,6-dichlorobenzoic acid SMILES: OC(=O)C1=C(Cl)C=CC=C1Cl
| PubChem CID | 5758 |
|---|---|
| CAS | 50-30-6 |
| Molecular Weight (g/mol) | 191.01 |
| ChEBI | CHEBI:48623 |
| MDL Number | MFCD00002418 |
| SMILES | OC(=O)C1=C(Cl)C=CC=C1Cl |
| Synonym | benzoic acid, 2,6-dichloro,2,6-dichloro-benzoic acid,unii-634ri764qt,2,6 dichlorobenzoic acid,2,6-dichlorobenzoicacid,2,6-dichloro-benzoicacid,ccris 8610,pubchem20028,acmc-1auop,2.6-dichlorobenzoic acid |
| IUPAC Name | 2,6-dichlorobenzoic acid |
| InChI Key | MRUDNSFOFOQZDA-UHFFFAOYSA-N |
| Molecular Formula | C7H4Cl2O2 |
1-Fluoro-3-iodobenzene (stabilized with Copper chip) 99.0+%, TCI America™
CAS: 1121-86-4 Molecular Formula: C6H4FI Molecular Weight (g/mol): 222.00 MDL Number: MFCD00001044 InChI Key: VSKSBSORLCDRHS-UHFFFAOYSA-N Synonym: 3-fluoroiodobenzene,m-fluoroiodobenzene,3-iodofluorobenzene,m-iodofluorobenzene,benzene, 1-fluoro-3-iodo,m-fluorobenzene,1-fluoro-3-iodo-benzene,1-iodo-3-fluorobenzene,3-fluoro-1-iodobenzene,m-fluorjodbenzol PubChem CID: 70725 IUPAC Name: 1-fluoro-3-iodobenzene SMILES: FC1=CC=CC(I)=C1
| PubChem CID | 70725 |
|---|---|
| CAS | 1121-86-4 |
| Molecular Weight (g/mol) | 222.00 |
| MDL Number | MFCD00001044 |
| SMILES | FC1=CC=CC(I)=C1 |
| Synonym | 3-fluoroiodobenzene,m-fluoroiodobenzene,3-iodofluorobenzene,m-iodofluorobenzene,benzene, 1-fluoro-3-iodo,m-fluorobenzene,1-fluoro-3-iodo-benzene,1-iodo-3-fluorobenzene,3-fluoro-1-iodobenzene,m-fluorjodbenzol |
| IUPAC Name | 1-fluoro-3-iodobenzene |
| InChI Key | VSKSBSORLCDRHS-UHFFFAOYSA-N |
| Molecular Formula | C6H4FI |
4-Fluoro-1,3-phenylenediamine 98.0+%, TCI America™
CAS: 6264-67-1 Molecular Formula: C6H7FN2 Molecular Weight (g/mol): 126.13 MDL Number: MFCD00077494 InChI Key: QNDFYLBDUWCFJO-UHFFFAOYSA-N Synonym: 2,4-diaminofluorobenzene,4-fluoro-1,3-benzenediamine,4-fluoro-1,3-phenylenediamine,1,3-diamino-4-fluorobenzene,1,3-benzenediamine, 4-fluoro,4-fluoro-1,3-diaminobenzene,1,3-benzenediamine,4-fluoro,pubchem2538,acmc-209n6n,ksc615i4l PubChem CID: 80435 IUPAC Name: 4-fluorobenzene-1,3-diamine SMILES: NC1=CC=C(F)C(N)=C1
| PubChem CID | 80435 |
|---|---|
| CAS | 6264-67-1 |
| Molecular Weight (g/mol) | 126.13 |
| MDL Number | MFCD00077494 |
| SMILES | NC1=CC=C(F)C(N)=C1 |
| Synonym | 2,4-diaminofluorobenzene,4-fluoro-1,3-benzenediamine,4-fluoro-1,3-phenylenediamine,1,3-diamino-4-fluorobenzene,1,3-benzenediamine, 4-fluoro,4-fluoro-1,3-diaminobenzene,1,3-benzenediamine,4-fluoro,pubchem2538,acmc-209n6n,ksc615i4l |
| IUPAC Name | 4-fluorobenzene-1,3-diamine |
| InChI Key | QNDFYLBDUWCFJO-UHFFFAOYSA-N |
| Molecular Formula | C6H7FN2 |
2-Fluorobenzonitrile 98.0+%, TCI America™
CAS: 394-47-8 Molecular Formula: C7H4FN Molecular Weight (g/mol): 121.11 MDL Number: MFCD00001773 InChI Key: GDHXJNRAJRCGMX-UHFFFAOYSA-N Synonym: o-fluorobenzonitrile,benzonitrile, 2-fluoro,o-cyanofluorobenzene,2-fluorobenzonitril,2-cyanofluorobenzene,benzonitrile, o-fluoro,fluorobenzonitrile,2-fluorobenzenecarbonitrile,2-fluoro-benzonitrile,1-cyano-2-fluorobenzene PubChem CID: 67855 IUPAC Name: 2-fluorobenzonitrile SMILES: FC1=CC=CC=C1C#N
| PubChem CID | 67855 |
|---|---|
| CAS | 394-47-8 |
| Molecular Weight (g/mol) | 121.11 |
| MDL Number | MFCD00001773 |
| SMILES | FC1=CC=CC=C1C#N |
| Synonym | o-fluorobenzonitrile,benzonitrile, 2-fluoro,o-cyanofluorobenzene,2-fluorobenzonitril,2-cyanofluorobenzene,benzonitrile, o-fluoro,fluorobenzonitrile,2-fluorobenzenecarbonitrile,2-fluoro-benzonitrile,1-cyano-2-fluorobenzene |
| IUPAC Name | 2-fluorobenzonitrile |
| InChI Key | GDHXJNRAJRCGMX-UHFFFAOYSA-N |
| Molecular Formula | C7H4FN |
5-(4-Fluorophenoxy)valeric Acid 98.0+%, TCI America™
CAS: 347867-75-8 Molecular Formula: C11H13FO3 Molecular Weight (g/mol): 212.22 MDL Number: MFCD02093469 InChI Key: SNUHBWJBUYDESY-UHFFFAOYSA-N PubChem CID: 22556441 IUPAC Name: 5-(4-fluorophenoxy)pentanoic acid SMILES: C1=CC(=CC=C1OCCCCC(=O)O)F
| PubChem CID | 22556441 |
|---|---|
| CAS | 347867-75-8 |
| Molecular Weight (g/mol) | 212.22 |
| MDL Number | MFCD02093469 |
| SMILES | C1=CC(=CC=C1OCCCCC(=O)O)F |
| IUPAC Name | 5-(4-fluorophenoxy)pentanoic acid |
| InChI Key | SNUHBWJBUYDESY-UHFFFAOYSA-N |
| Molecular Formula | C11H13FO3 |
3-Formylphenylboronic Acid (contains varying amounts of Anhydride), TCI America™
CAS: 87199-16-4 Molecular Formula: C7H7BO3 Molecular Weight (g/mol): 149.94 MDL Number: MFCD00161356 InChI Key: HJBGZJMKTOMQRR-UHFFFAOYSA-N Synonym: 3-formylphenyl boronic acid,3-formylbenzeneboronic acid,3-boronobenzaldehyde,3-formyl phenylboronic acid,3-formylboronic acid,m-formylphenylboronic acid,3-dihydroxyboryl benzaldehyde,boronic acid, 3-formylphenyl,3-formylphenylboronicacid PubChem CID: 2734356 IUPAC Name: (3-formylphenyl)boronic acid SMILES: OB(O)C1=CC=CC(C=O)=C1
| PubChem CID | 2734356 |
|---|---|
| CAS | 87199-16-4 |
| Molecular Weight (g/mol) | 149.94 |
| MDL Number | MFCD00161356 |
| SMILES | OB(O)C1=CC=CC(C=O)=C1 |
| Synonym | 3-formylphenyl boronic acid,3-formylbenzeneboronic acid,3-boronobenzaldehyde,3-formyl phenylboronic acid,3-formylboronic acid,m-formylphenylboronic acid,3-dihydroxyboryl benzaldehyde,boronic acid, 3-formylphenyl,3-formylphenylboronicacid |
| IUPAC Name | (3-formylphenyl)boronic acid |
| InChI Key | HJBGZJMKTOMQRR-UHFFFAOYSA-N |
| Molecular Formula | C7H7BO3 |
4-(Diethoxymethyl)-trans-stilbene 98.0+%, TCI America™
CAS: 381716-24-1 Molecular Formula: C19H22O2 Molecular Weight (g/mol): 282.38 MDL Number: MFCD02093470 InChI Key: LKUHPNYFNZOTGE-UHFFFAOYSA-N Synonym: 4-Formyl-trans-stilbene Diethyl Acetal PubChem CID: 70700030 IUPAC Name: 1-(diethoxymethyl)-4-(2-phenylethenyl)benzene SMILES: CCOC(OCC)C1=CC=C(C=CC2=CC=CC=C2)C=C1
| PubChem CID | 70700030 |
|---|---|
| CAS | 381716-24-1 |
| Molecular Weight (g/mol) | 282.38 |
| MDL Number | MFCD02093470 |
| SMILES | CCOC(OCC)C1=CC=C(C=CC2=CC=CC=C2)C=C1 |
| Synonym | 4-Formyl-trans-stilbene Diethyl Acetal |
| IUPAC Name | 1-(diethoxymethyl)-4-(2-phenylethenyl)benzene |
| InChI Key | LKUHPNYFNZOTGE-UHFFFAOYSA-N |
| Molecular Formula | C19H22O2 |
p-Toluidine Hydrochloride 98.0+%, TCI America™
CAS: 540-23-8 Molecular Formula: C7H10ClN Molecular Weight (g/mol): 143.61 MDL Number: MFCD00035497 InChI Key: JQKBUTDZZRGQDR-UHFFFAOYSA-N PubChem CID: 10891 IUPAC Name: hydrogen 4-methylaniline chloride SMILES: [H+].[Cl-].CC1=CC=C(N)C=C1
| PubChem CID | 10891 |
|---|---|
| CAS | 540-23-8 |
| Molecular Weight (g/mol) | 143.61 |
| MDL Number | MFCD00035497 |
| SMILES | [H+].[Cl-].CC1=CC=C(N)C=C1 |
| IUPAC Name | hydrogen 4-methylaniline chloride |
| InChI Key | JQKBUTDZZRGQDR-UHFFFAOYSA-N |
| Molecular Formula | C7H10ClN |
(1R,2S)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenyl-1-propanol 98.0+%, TCI America™
CAS: 187324-63-6 Molecular Formula: C25H29NO3S Molecular Weight (g/mol): 423.571 MDL Number: MFCD02093446 InChI Key: ZPERKXJNXPLVAC-URXFXBBRSA-N Synonym: (1R,2S)-N-Benzyl-N-(mesitylenesulfonyl)norephedrine, (1R,2S)-2-[N-Benzyl-N-(2,4,6-trimethylbenzenesulfonyl)amino]-1-phenyl-1-propanol PubChem CID: 11166154 IUPAC Name: N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide SMILES: CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)C(C3=CC=CC=C3)O)C
| PubChem CID | 11166154 |
|---|---|
| CAS | 187324-63-6 |
| Molecular Weight (g/mol) | 423.571 |
| MDL Number | MFCD02093446 |
| SMILES | CC1=CC(=C(C(=C1)C)S(=O)(=O)N(CC2=CC=CC=C2)C(C)C(C3=CC=CC=C3)O)C |
| Synonym | (1R,2S)-N-Benzyl-N-(mesitylenesulfonyl)norephedrine, (1R,2S)-2-[N-Benzyl-N-(2,4,6-trimethylbenzenesulfonyl)amino]-1-phenyl-1-propanol |
| IUPAC Name | N-benzyl-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-2,4,6-trimethylbenzenesulfonamide |
| InChI Key | ZPERKXJNXPLVAC-URXFXBBRSA-N |
| Molecular Formula | C25H29NO3S |
Sulfaguanidine 98.0+%, TCI America™
CAS: 57-67-0 Molecular Formula: C7H10N4O2S Molecular Weight (g/mol): 214.243 MDL Number: MFCD00038136 InChI Key: BRBKOPJOKNSWSG-UHFFFAOYSA-N Synonym: sulfaguanidine,sulphaguanidine,sulfaguanidin,guanicil,sulfaguine,aterian,sulfanilguanidine,sulfanilylguanidine,sulfoguanidine,abiguanil PubChem CID: 5324 IUPAC Name: 2-(4-aminophenyl)sulfonylguanidine SMILES: C1=CC(=CC=C1N)S(=O)(=O)N=C(N)N
| PubChem CID | 5324 |
|---|---|
| CAS | 57-67-0 |
| Molecular Weight (g/mol) | 214.243 |
| MDL Number | MFCD00038136 |
| SMILES | C1=CC(=CC=C1N)S(=O)(=O)N=C(N)N |
| Synonym | sulfaguanidine,sulphaguanidine,sulfaguanidin,guanicil,sulfaguine,aterian,sulfanilguanidine,sulfanilylguanidine,sulfoguanidine,abiguanil |
| IUPAC Name | 2-(4-aminophenyl)sulfonylguanidine |
| InChI Key | BRBKOPJOKNSWSG-UHFFFAOYSA-N |
| Molecular Formula | C7H10N4O2S |
N-Allyl-p-toluenesulfonamide 98.0+%, TCI America™
CAS: 50487-71-3 Molecular Formula: C10H13NO2S Molecular Weight (g/mol): 211.279 MDL Number: MFCD00182633 InChI Key: SQMCYQSCMCMEIL-UHFFFAOYSA-N PubChem CID: 297877 IUPAC Name: 4-methyl-N-prop-2-enylbenzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCC=C
| PubChem CID | 297877 |
|---|---|
| CAS | 50487-71-3 |
| Molecular Weight (g/mol) | 211.279 |
| MDL Number | MFCD00182633 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)NCC=C |
| IUPAC Name | 4-methyl-N-prop-2-enylbenzenesulfonamide |
| InChI Key | SQMCYQSCMCMEIL-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO2S |
4-Fluoro-3-nitrobenzenesulfonamide 98.0+%, TCI America™
CAS: 406233-31-6 Molecular Formula: C6H5FN2O4S Molecular Weight (g/mol): 220.174 MDL Number: MFCD08703185 InChI Key: FAYVDRRKPVJSPE-UHFFFAOYSA-N Synonym: 4-fluoro-3-nitro-benzenesulfonamide,4-fluoro-3-nitrobenzene-1-sulfonamide,benzenesulfonamide, 4-fluoro-3-nitro,4-fluoro-3-nitrobenzenesulfonamide,4-fluoro-3-nitrobenzene sulfonamide,4-f luoro-3-nitrobenzene sulfonamide,benzenesulfonamide,4-fluoro-3-nitro,4-fluoranyl-3-nitro-benzenesulfonamide 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 |
| Synonym | 4-fluoro-3-nitro-benzenesulfonamide,4-fluoro-3-nitrobenzene-1-sulfonamide,benzenesulfonamide, 4-fluoro-3-nitro,4-fluoro-3-nitrobenzenesulfonamide,4-fluoro-3-nitrobenzene sulfonamide,4-f luoro-3-nitrobenzene sulfonamide,benzenesulfonamide,4-fluoro-3-nitro,4-fluoranyl-3-nitro-benzenesulfonamide |
| IUPAC Name | 4-fluoro-3-nitrobenzenesulfonamide |
| InChI Key | FAYVDRRKPVJSPE-UHFFFAOYSA-N |
| Molecular Formula | C6H5FN2O4S |
N'-Isopropylidene-2-nitrobenzenesulfonohydrazide 98.0+%, TCI America™
CAS: 6655-27-2 Molecular Formula: C9H11N3O4S Molecular Weight (g/mol): 257.264 MDL Number: MFCD09800525 InChI Key: SBNYNTYNEJTMQO-UHFFFAOYSA-N Synonym: IPNBSH PubChem CID: 11974266 SMILES: CC(=NNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C
| PubChem CID | 11974266 |
|---|---|
| CAS | 6655-27-2 |
| Molecular Weight (g/mol) | 257.264 |
| MDL Number | MFCD09800525 |
| SMILES | CC(=NNS(=O)(=O)C1=CC=CC=C1[N+](=O)[O-])C |
| Synonym | IPNBSH |
| InChI Key | SBNYNTYNEJTMQO-UHFFFAOYSA-N |
| Molecular Formula | C9H11N3O4S |