Benzene and substituted derivatives
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2-Methoxy-4-nitroaniline, 98%
CAS: 97-52-9 Molecular Formula: C7H8N2O3 Molecular Weight (g/mol): 168.15 MDL Number: MFCD00007363 InChI Key: GVBHRNIWBGTNQA-UHFFFAOYSA-N Synonym: fast red b base,benzenamine, 2-methoxy-4-nitro,4-nitro-o-anisidine,fast red base b,fast red b,red b base,diazo fast red b,2-amino-5-nitroanisole,azoamine pink o,fast red 5na base PubChem CID: 7337 IUPAC Name: 2-methoxy-4-nitroaniline SMILES: COC1=CC(=CC=C1N)[N+]([O-])=O
| PubChem CID | 7337 |
|---|---|
| CAS | 97-52-9 |
| Molecular Weight (g/mol) | 168.15 |
| MDL Number | MFCD00007363 |
| SMILES | COC1=CC(=CC=C1N)[N+]([O-])=O |
| Synonym | fast red b base,benzenamine, 2-methoxy-4-nitro,4-nitro-o-anisidine,fast red base b,fast red b,red b base,diazo fast red b,2-amino-5-nitroanisole,azoamine pink o,fast red 5na base |
| IUPAC Name | 2-methoxy-4-nitroaniline |
| InChI Key | GVBHRNIWBGTNQA-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O3 |
1,3-Dioxolane, 99%, Spectrum™ Chemical
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CAS: 646-06-0
| CAS | 646-06-0 |
|---|
p-Anisaldehyde, 98%, Spectrum™ Chemical
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CAS: 123-11-5
| CAS | 123-11-5 |
|---|
1-Iodo-2-nitrobenzene, 97%, Thermo Scientific Chemicals
CAS: 609-73-4 Molecular Formula: C6H4INO2 Molecular Weight (g/mol): 249.01 MDL Number: MFCD00007088 InChI Key: JXMZUNPWVXQADG-UHFFFAOYSA-N Synonym: 2-iodonitrobenzene,o-iodonitrobenzene,o-nitroiodobenzene,benzene, 1-iodo-2-nitro,2-nitroiodobenzene,2-iodo-1-nitrobenzene,1-iodo-2-nitro-benzene,2-iodo-nitrobenzene,2-nitro-iodobenzene,benzene, iodonitro PubChem CID: 69115 IUPAC Name: 1-iodo-2-nitrobenzene SMILES: [O-][N+](=O)C1=CC=CC=C1I
| PubChem CID | 69115 |
|---|---|
| CAS | 609-73-4 |
| Molecular Weight (g/mol) | 249.01 |
| MDL Number | MFCD00007088 |
| SMILES | [O-][N+](=O)C1=CC=CC=C1I |
| Synonym | 2-iodonitrobenzene,o-iodonitrobenzene,o-nitroiodobenzene,benzene, 1-iodo-2-nitro,2-nitroiodobenzene,2-iodo-1-nitrobenzene,1-iodo-2-nitro-benzene,2-iodo-nitrobenzene,2-nitro-iodobenzene,benzene, iodonitro |
| IUPAC Name | 1-iodo-2-nitrobenzene |
| InChI Key | JXMZUNPWVXQADG-UHFFFAOYSA-N |
| Molecular Formula | C6H4INO2 |
N-Methylhippuric acid, 99%, Thermo Scientific™
CAS: 2568-34-5 Molecular Formula: C10H11NO3 Molecular Weight (g/mol): 193.20 MDL Number: MFCD00144940 InChI Key: PKCSYDDSNIJRIX-UHFFFAOYSA-N Synonym: benzoylsarcosine,n-methylhippuric acid,n-benzoyl-n-methylglycine,n-benzoylsarcosine,glycine, n-benzoyl-n-methyl,2-n-methylbenzamido acetic acid,sarcosine, n-benzoyl,2-benzoyl methyl amino acetic acid,chembl66391,2-n-methyl-1-phenylformamido acetic acid PubChem CID: 75728 IUPAC Name: 2-[benzoyl(methyl)amino]acetic acid SMILES: CN(CC(O)=O)C(=O)C1=CC=CC=C1
| PubChem CID | 75728 |
|---|---|
| CAS | 2568-34-5 |
| Molecular Weight (g/mol) | 193.20 |
| MDL Number | MFCD00144940 |
| SMILES | CN(CC(O)=O)C(=O)C1=CC=CC=C1 |
| Synonym | benzoylsarcosine,n-methylhippuric acid,n-benzoyl-n-methylglycine,n-benzoylsarcosine,glycine, n-benzoyl-n-methyl,2-n-methylbenzamido acetic acid,sarcosine, n-benzoyl,2-benzoyl methyl amino acetic acid,chembl66391,2-n-methyl-1-phenylformamido acetic acid |
| IUPAC Name | 2-[benzoyl(methyl)amino]acetic acid |
| InChI Key | PKCSYDDSNIJRIX-UHFFFAOYSA-N |
| Molecular Formula | C10H11NO3 |
2,6-Dimethoxybenzonitrile, 97%, Thermo Scientific™
CAS: 16932-49-3 Molecular Formula: C9H9NO2 Molecular Weight (g/mol): 163.18 MDL Number: MFCD00001788 InChI Key: XHAHKSSLDJIEDH-UHFFFAOYSA-N Synonym: benzonitrile, 2,6-dimethoxy,2,6-dimethoxy-benzonitrile,2,6-dimethoxybenzenecarbonitrile,pubchem4772,2.6-dimethoxybenzonitrile,benzonitrile,2,6-dimethoxy,2-10-00-00260 beilstein handbook reference,2,6-dimethoxybenzonitrile PubChem CID: 85648 IUPAC Name: 2,6-dimethoxybenzonitrile SMILES: COC1=C(C(=CC=C1)OC)C#N
| PubChem CID | 85648 |
|---|---|
| CAS | 16932-49-3 |
| Molecular Weight (g/mol) | 163.18 |
| MDL Number | MFCD00001788 |
| SMILES | COC1=C(C(=CC=C1)OC)C#N |
| Synonym | benzonitrile, 2,6-dimethoxy,2,6-dimethoxy-benzonitrile,2,6-dimethoxybenzenecarbonitrile,pubchem4772,2.6-dimethoxybenzonitrile,benzonitrile,2,6-dimethoxy,2-10-00-00260 beilstein handbook reference,2,6-dimethoxybenzonitrile |
| IUPAC Name | 2,6-dimethoxybenzonitrile |
| InChI Key | XHAHKSSLDJIEDH-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2 |
4,4'-Bis(diethylamino)benzophenone, 99+%
CAS: 90-93-7 Molecular Formula: C21H28N2O Molecular Weight (g/mol): 324.47 MDL Number: MFCD00009044 InChI Key: VYHBFRJRBHMIQZ-UHFFFAOYSA-N Synonym: 4,4'-bis diethylamino benzophenone,michler's ethyl ketone,bis 4-diethylamino phenyl methanone,methanone, bis 4-diethylamino phenyl,4,4'-tetraethyldiamino benzophenone,p,p'-bis diethylamino benzophenone,p,p'-tetraethyldiamino benzophenone,ethyl michler ketone PubChem CID: 66663 IUPAC Name: bis[4-(diethylamino)phenyl]methanone SMILES: CCN(CC)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(CC)CC
| PubChem CID | 66663 |
|---|---|
| CAS | 90-93-7 |
| Molecular Weight (g/mol) | 324.47 |
| MDL Number | MFCD00009044 |
| SMILES | CCN(CC)C1=CC=C(C=C1)C(=O)C1=CC=C(C=C1)N(CC)CC |
| Synonym | 4,4'-bis diethylamino benzophenone,michler's ethyl ketone,bis 4-diethylamino phenyl methanone,methanone, bis 4-diethylamino phenyl,4,4'-tetraethyldiamino benzophenone,p,p'-bis diethylamino benzophenone,p,p'-tetraethyldiamino benzophenone,ethyl michler ketone |
| IUPAC Name | bis[4-(diethylamino)phenyl]methanone |
| InChI Key | VYHBFRJRBHMIQZ-UHFFFAOYSA-N |
| Molecular Formula | C21H28N2O |
1-(4-Methoxyphenyl)-1-cyclopropanecarbonitrile, 96%
CAS: 16728-00-0 Molecular Formula: C11H11NO Molecular Weight (g/mol): 173.22 MDL Number: MFCD00019212 InChI Key: OIQRGAQXQLASRC-UHFFFAOYSA-N Synonym: 1-4-methoxyphenyl cyclopropanecarbonitrile,1-4-methoxyphenyl cyclopropane-1-carbonitrile,cyclopropanecarbonitrile, 1-4-methoxyphenyl,1-4-methoxyphenyl-1-cyclopropanecarbonitrile,1-4-methoxy-phenyl cyclopropanecarbonitrile,4-1-cyanocyclopropyl anisole,1-4-methoxy-phenyl-cyclopropanecarbonitrile,cyclopropanecarbonitrile,1-4-methoxyphenyl,1-4-methoxyphenyl-cyclopropane-1-carbonitrile,1-4-methoxyphenyl cyclopropane carbonitrile PubChem CID: 85574 IUPAC Name: 1-(4-methoxyphenyl)cyclopropane-1-carbonitrile SMILES: COC1=CC=C(C=C1)C1(CC1)C#N
| PubChem CID | 85574 |
|---|---|
| CAS | 16728-00-0 |
| Molecular Weight (g/mol) | 173.22 |
| MDL Number | MFCD00019212 |
| SMILES | COC1=CC=C(C=C1)C1(CC1)C#N |
| Synonym | 1-4-methoxyphenyl cyclopropanecarbonitrile,1-4-methoxyphenyl cyclopropane-1-carbonitrile,cyclopropanecarbonitrile, 1-4-methoxyphenyl,1-4-methoxyphenyl-1-cyclopropanecarbonitrile,1-4-methoxy-phenyl cyclopropanecarbonitrile,4-1-cyanocyclopropyl anisole,1-4-methoxy-phenyl-cyclopropanecarbonitrile,cyclopropanecarbonitrile,1-4-methoxyphenyl,1-4-methoxyphenyl-cyclopropane-1-carbonitrile,1-4-methoxyphenyl cyclopropane carbonitrile |
| IUPAC Name | 1-(4-methoxyphenyl)cyclopropane-1-carbonitrile |
| InChI Key | OIQRGAQXQLASRC-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO |
2,5-Dimethoxybenzyl alcohol, 99%
CAS: 33524-31-1 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00004615 InChI Key: WGQMUABRZGUAOS-UHFFFAOYSA-N Synonym: 2,5-dimethoxybenzyl alcohol,2,5-dimethoxyphenyl methanol,benzenemethanol, 2,5-dimethoxy,acmc-1ckmt,2,5-dimethoxybenzylalcohol,2,5-dimethoxylbenzylalcohol,benzenemethanol,2,5-dimethoxy,2,5-dimethoxyphenyl-methanol,wgqmuabrzguaos-uhfffaoysa,2,5-dimethoxyphenyl methanol # PubChem CID: 118495 IUPAC Name: (2,5-dimethoxyphenyl)methanol SMILES: COC1=CC(=C(C=C1)OC)CO
| PubChem CID | 118495 |
|---|---|
| CAS | 33524-31-1 |
| Molecular Weight (g/mol) | 168.19 |
| MDL Number | MFCD00004615 |
| SMILES | COC1=CC(=C(C=C1)OC)CO |
| Synonym | 2,5-dimethoxybenzyl alcohol,2,5-dimethoxyphenyl methanol,benzenemethanol, 2,5-dimethoxy,acmc-1ckmt,2,5-dimethoxybenzylalcohol,2,5-dimethoxylbenzylalcohol,benzenemethanol,2,5-dimethoxy,2,5-dimethoxyphenyl-methanol,wgqmuabrzguaos-uhfffaoysa,2,5-dimethoxyphenyl methanol # |
| IUPAC Name | (2,5-dimethoxyphenyl)methanol |
| InChI Key | WGQMUABRZGUAOS-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
(3R,4R)-(-)-1-Benzyl-3,4-pyrrolidindiol, 97%
CAS: 163439-82-5 MDL Number: MFCD01073894 InChI Key: QJRIUWQPJVPYSO-GHMZBOCLSA-N Synonym: 3r,4r-1-benzylpyrrolidine-3,4-diol,3r,4r---1-benzyl-3,4-pyrrolidindiol,3r,4r---1-benzyl-3,4-pyrrolidinediol,3,4-pyrrolidinediol, 1-phenylmethyl-, 3r,4r,pubchem14982,trans-3,4-dihydroxy-n-benzylpyrrolidine,3r,4r-1-benzyl-3,4-pyrrolidinediol,3r-1-benzylpyrrolidine-3beta,4alpha-diol,3r,4r-rel-1-phenylmethyl-3,4-pyrrolidinediol,3,4-pyrrolidinediol,1-phenylmethyl-, 3r,4r PubChem CID: 7021491 IUPAC Name: (3R,4R)-1-benzylpyrrolidine-3,4-diol SMILES: C1C(C(CN1CC2=CC=CC=C2)O)O
| PubChem CID | 7021491 |
|---|---|
| CAS | 163439-82-5 |
| MDL Number | MFCD01073894 |
| SMILES | C1C(C(CN1CC2=CC=CC=C2)O)O |
| Synonym | 3r,4r-1-benzylpyrrolidine-3,4-diol,3r,4r---1-benzyl-3,4-pyrrolidindiol,3r,4r---1-benzyl-3,4-pyrrolidinediol,3,4-pyrrolidinediol, 1-phenylmethyl-, 3r,4r,pubchem14982,trans-3,4-dihydroxy-n-benzylpyrrolidine,3r,4r-1-benzyl-3,4-pyrrolidinediol,3r-1-benzylpyrrolidine-3beta,4alpha-diol,3r,4r-rel-1-phenylmethyl-3,4-pyrrolidinediol,3,4-pyrrolidinediol,1-phenylmethyl-, 3r,4r |
| IUPAC Name | (3R,4R)-1-benzylpyrrolidine-3,4-diol |
| InChI Key | QJRIUWQPJVPYSO-GHMZBOCLSA-N |
Tosylmethyl isocyanide, 98%
CAS: 36635-61-7 Molecular Formula: C9H9NO2S Molecular Weight (g/mol): 195.24 MDL Number: MFCD00000005 InChI Key: CFOAUYCPAUGDFF-UHFFFAOYSA-N Synonym: tosylmethyl isocyanide,tosmic,p-toluenesulfonylmethyl isocyanide,4-toluenesulphonylmethyl isocyanide,4-toluenesulfonylmethyl isocyanide,tosylmethylisocyanide,1-isocyanomethylsulfonyl-4-methylbenzene,p-tolylsulfonyl methyl isocyanide,unii-c35fd6olh8,1-isocyanomethyl sulfonyl-4-methylbenzene PubChem CID: 161915 IUPAC Name: 1-(isocyanomethylsulfonyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-]
| PubChem CID | 161915 |
|---|---|
| CAS | 36635-61-7 |
| Molecular Weight (g/mol) | 195.24 |
| MDL Number | MFCD00000005 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C[N+]#[C-] |
| Synonym | tosylmethyl isocyanide,tosmic,p-toluenesulfonylmethyl isocyanide,4-toluenesulphonylmethyl isocyanide,4-toluenesulfonylmethyl isocyanide,tosylmethylisocyanide,1-isocyanomethylsulfonyl-4-methylbenzene,p-tolylsulfonyl methyl isocyanide,unii-c35fd6olh8,1-isocyanomethyl sulfonyl-4-methylbenzene |
| IUPAC Name | 1-(isocyanomethylsulfonyl)-4-methylbenzene |
| InChI Key | CFOAUYCPAUGDFF-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO2S |
4-Bromo-2-fluorobenzoyl chloride, 99%
CAS: 151982-51-3 Molecular Formula: C7H3BrClFO Molecular Weight (g/mol): 237.46 MDL Number: MFCD03411584 InChI Key: PCFIABOQFAFDAU-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromobenzoyl chloride,benzoyl chloride, 4-bromo-2-fluoro,benzoyl chloride,4-bromo-2-fluoro,acmc-20amnm,4-bromo-2-fluorobenzoylchloride,4-bromo-2-fluoro-benzoyl chloride,4-bromo-2-fluorobenzoic acid chloride,4-bromanyl-2-fluoranyl-benzoyl chloride PubChem CID: 2734026 IUPAC Name: 4-bromo-2-fluorobenzoyl chloride SMILES: C1=CC(=C(C=C1Br)F)C(=O)Cl
| PubChem CID | 2734026 |
|---|---|
| CAS | 151982-51-3 |
| Molecular Weight (g/mol) | 237.46 |
| MDL Number | MFCD03411584 |
| SMILES | C1=CC(=C(C=C1Br)F)C(=O)Cl |
| Synonym | 2-fluoro-4-bromobenzoyl chloride,benzoyl chloride, 4-bromo-2-fluoro,benzoyl chloride,4-bromo-2-fluoro,acmc-20amnm,4-bromo-2-fluorobenzoylchloride,4-bromo-2-fluoro-benzoyl chloride,4-bromo-2-fluorobenzoic acid chloride,4-bromanyl-2-fluoranyl-benzoyl chloride |
| IUPAC Name | 4-bromo-2-fluorobenzoyl chloride |
| InChI Key | PCFIABOQFAFDAU-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrClFO |
1,3-Dioxolane, 99.5+%, pure, stabilized
CAS: 646-06-0 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 MDL Number: MFCD00003207 InChI Key: WNXJIVFYUVYPPR-UHFFFAOYSA-N Synonym: dioxolane,glycolformal,formal glycol,1,3-dioxolan,1,3-dioxacyclopentane,1,3-dioxalane,ethylene glycol formal,glycol methylene ether,glycol formal,dioxolan czech PubChem CID: 31404 ChEBI: CHEBI:34247 IUPAC Name: 2,6-ditert-butyl-4-methylphenol SMILES: CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
| PubChem CID | 31404 |
|---|---|
| CAS | 646-06-0 |
| Molecular Weight (g/mol) | 74.08 |
| ChEBI | CHEBI:34247 |
| MDL Number | MFCD00003207 |
| SMILES | CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C |
| Synonym | dioxolane,glycolformal,formal glycol,1,3-dioxolan,1,3-dioxacyclopentane,1,3-dioxalane,ethylene glycol formal,glycol methylene ether,glycol formal,dioxolan czech |
| IUPAC Name | 2,6-ditert-butyl-4-methylphenol |
| InChI Key | WNXJIVFYUVYPPR-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2 |
3,4-Dichlorobenzyl chloride, 98+%
CAS: 102-47-6 Molecular Formula: C7H5Cl3 Molecular Weight (g/mol): 195.47 MDL Number: MFCD00000906 InChI Key: YZIFVWOCPGPNHB-UHFFFAOYSA-N Synonym: 3,4-dichlorobenzyl chloride,1,2-dichloro-4-chloromethyl benzene,alpha,3,4-trichlorotoluene,benzene, 1,2-dichloro-4-chloromethyl,unii-451pb8smie,1,2-dichloro-4-chloromethyl-benzene,3,4-dichlorobenzylchloride,451pb8smie,3,4-dichlorophenylmethyl chloride,toluene, .alpha.,3,4-trichloro PubChem CID: 7609 IUPAC Name: 1,2-dichloro-4-(chloromethyl)benzene SMILES: C1=CC(=C(C=C1CCl)Cl)Cl
| PubChem CID | 7609 |
|---|---|
| CAS | 102-47-6 |
| Molecular Weight (g/mol) | 195.47 |
| MDL Number | MFCD00000906 |
| SMILES | C1=CC(=C(C=C1CCl)Cl)Cl |
| Synonym | 3,4-dichlorobenzyl chloride,1,2-dichloro-4-chloromethyl benzene,alpha,3,4-trichlorotoluene,benzene, 1,2-dichloro-4-chloromethyl,unii-451pb8smie,1,2-dichloro-4-chloromethyl-benzene,3,4-dichlorobenzylchloride,451pb8smie,3,4-dichlorophenylmethyl chloride,toluene, .alpha.,3,4-trichloro |
| IUPAC Name | 1,2-dichloro-4-(chloromethyl)benzene |
| InChI Key | YZIFVWOCPGPNHB-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl3 |
1-Chloro-2-iodobenzene, 99%
CAS: 615-41-8 Molecular Formula: C6H4ClI Molecular Weight (g/mol): 238.45 MDL Number: MFCD00001033 InChI Key: MPEOPBCQHNWNFB-UHFFFAOYSA-N Synonym: 2-chloroiodobenzene,o-chloroiodobenzene,o-iodochlorobenzene,2-iodochlorobenzene,benzene, 1-chloro-2-iodo,2-chlorophenyl iodide,2-chloro-1-iodobenzene,1-chloro-2-iodo-benzene,chlorjodbenzol,iodochlorobenzene PubChem CID: 11993 IUPAC Name: 1-chloro-2-iodobenzene SMILES: ClC1=CC=CC=C1I
| PubChem CID | 11993 |
|---|---|
| CAS | 615-41-8 |
| Molecular Weight (g/mol) | 238.45 |
| MDL Number | MFCD00001033 |
| SMILES | ClC1=CC=CC=C1I |
| Synonym | 2-chloroiodobenzene,o-chloroiodobenzene,o-iodochlorobenzene,2-iodochlorobenzene,benzene, 1-chloro-2-iodo,2-chlorophenyl iodide,2-chloro-1-iodobenzene,1-chloro-2-iodo-benzene,chlorjodbenzol,iodochlorobenzene |
| IUPAC Name | 1-chloro-2-iodobenzene |
| InChI Key | MPEOPBCQHNWNFB-UHFFFAOYSA-N |
| Molecular Formula | C6H4ClI |