Benzene and substituted derivatives
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p-Anisaldehyde, 99+%
CAS: 123-11-5 Formula molecolare: C8H8O2 Molecular Weight (g/mol): 136.15 Numero MDL: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Sinonimo: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O
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| Sinonimo | p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine |
|---|---|
| Numero MDL | MFCD00003385 |
| PubChem CID | 31244 |
| Formula molecolare | C8H8O2 |
| CAS | 123-11-5 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28235 |
| SMILES | COC1=CC=C(C=C1)C=O |
| IUPAC Name | 4-methoxybenzaldehyde |
| InChI Key | ZRSNZINYAWTAHE-UHFFFAOYSA-N |
Benzyl Alcohol, 99%, Pure
CAS: 100-51-6 Formula molecolare: C7H8O Molecular Weight (g/mol): 108.14 Numero MDL: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Sinonimo: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
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| Sinonimo | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
|---|---|
| Numero MDL | MFCD00004599,MFCD03792087 |
| PubChem CID | 244 |
| Formula molecolare | C7H8O |
| CAS | 100-51-6 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:17987 |
| SMILES | OCC1=CC=CC=C1 |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
DAPT
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Isoeugenol, 98+%, mixture of cis/trans isomers
CAS: 97-54-1 Formula molecolare: C10H12O2 Molecular Weight (g/mol): 164.20 Numero MDL: MFCD00009285 InChI Key: BJIOGJUNALELMI-ONEGZZNKSA-N Sinonimo: isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene PubChem CID: 853433 ChEBI: CHEBI:50545 SMILES: COC1=CC(\C=C\C)=CC=C1O
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| Sinonimo | isoeugenol,e-isoeugenol,trans-isoeugenol,2-methoxy-4-propenylphenol,4-propenylguaiacol,4-hydroxy-3-methoxy-1-propenylbenzene,2-methoxy-4-prop-1-en-1-yl phenol,trans-p-propenylquaiacol,isoeugenol trans-form,4-hydroxy-3-methoxypropenylbenzene |
|---|---|
| Numero MDL | MFCD00009285 |
| PubChem CID | 853433 |
| Formula molecolare | C10H12O2 |
| CAS | 97-54-1 |
| Molecular Weight (g/mol) | 164.20 |
| ChEBI | CHEBI:50545 |
| SMILES | COC1=CC(\C=C\C)=CC=C1O |
| InChI Key | BJIOGJUNALELMI-ONEGZZNKSA-N |
4-Aminobenzoic acid, 99%
CAS: 150-13-0 Formula molecolare: C7H7NO2 Molecular Weight (g/mol): 137.14 Numero MDL: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Sinonimo: p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino PubChem CID: 978 ChEBI: CHEBI:30753 IUPAC Name: 4-aminobenzoic acid SMILES: NC1=CC=C(C=C1)C(O)=O
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| Sinonimo | p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino |
|---|---|
| Numero MDL | MFCD00007894 |
| PubChem CID | 978 |
| Formula molecolare | C7H7NO2 |
| CAS | 150-13-0 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:30753 |
| SMILES | NC1=CC=C(C=C1)C(O)=O |
| IUPAC Name | 4-aminobenzoic acid |
| InChI Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
2-Phenoxyethanol, 94%
CAS: 122-99-6 Formula molecolare: C8H10O2 Molecular Weight (g/mol): 138.166 Numero MDL: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Sinonimo: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO
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| Sinonimo | phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane |
|---|---|
| Numero MDL | MFCD00002857 |
| PubChem CID | 31236 |
| Formula molecolare | C8H10O2 |
| CAS | 122-99-6 |
| Molecular Weight (g/mol) | 138.166 |
| ChEBI | CHEBI:64275 |
| SMILES | C1=CC=C(C=C1)OCCO |
| IUPAC Name | 2-phenoxyethanol |
| InChI Key | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
Methylene di-p-phenyl diisocyanate, 98%, flakes
CAS: 101-68-8 Formula molecolare: C15H10N2O2 Molecular Weight (g/mol): 250.26 Numero MDL: MFCD00036131 InChI Key: UPMLOUAZCHDJJD-UHFFFAOYSA-N Sinonimo: 4,4'-diphenylmethane diisocyanate,diphenylmethane diisocyanate,isonate,4,4'-diisocyanatodiphenylmethane,p,p'-diphenylmethane diisocyanate,bis 4-isocyanatophenyl methane,4,4'-methylenebis phenyl isocyanate,methylbisphenyl isocyanate,1,1'-methylenebis 4-isocyanatobenzene,methylene diphenyl diisocyanate PubChem CID: 7570 ChEBI: CHEBI:53218 IUPAC Name: 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O
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| Sinonimo | 4,4'-diphenylmethane diisocyanate,diphenylmethane diisocyanate,isonate,4,4'-diisocyanatodiphenylmethane,p,p'-diphenylmethane diisocyanate,bis 4-isocyanatophenyl methane,4,4'-methylenebis phenyl isocyanate,methylbisphenyl isocyanate,1,1'-methylenebis 4-isocyanatobenzene,methylene diphenyl diisocyanate |
|---|---|
| Numero MDL | MFCD00036131 |
| PubChem CID | 7570 |
| Formula molecolare | C15H10N2O2 |
| CAS | 101-68-8 |
| Molecular Weight (g/mol) | 250.26 |
| ChEBI | CHEBI:53218 |
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)N=C=O)N=C=O |
| IUPAC Name | 1-isocyanato-4-[(4-isocyanatophenyl)methyl]benzene |
| InChI Key | UPMLOUAZCHDJJD-UHFFFAOYSA-N |
2-Phenoxyethanol, 99%
CAS: 122-99-6 Formula molecolare: C8H10O2 Molecular Weight (g/mol): 138.17 Numero MDL: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Sinonimo: phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane PubChem CID: 31236 ChEBI: CHEBI:64275 IUPAC Name: 2-phenoxyethanol SMILES: C1=CC=C(C=C1)OCCO
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| Sinonimo | phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane |
|---|---|
| Numero MDL | MFCD00002857 |
| PubChem CID | 31236 |
| Formula molecolare | C8H10O2 |
| CAS | 122-99-6 |
| Molecular Weight (g/mol) | 138.17 |
| ChEBI | CHEBI:64275 |
| SMILES | C1=CC=C(C=C1)OCCO |
| IUPAC Name | 2-phenoxyethanol |
| InChI Key | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
Methyl salicylate, 98%
CAS: 119-36-8 Formula molecolare: C8H8O3 Molecular Weight (g/mol): 152.149 Numero MDL: MFCD00002214 InChI Key: OSWPMRLSEDHDFF-UHFFFAOYSA-N Sinonimo: methyl salicylate,wintergreen oil,gaultheria oil,betula oil,teaberry oil,sweet birch oil,oil of wintergreen,analgit,spicewood oil,2-hydroxybenzoic acid methyl ester PubChem CID: 4133 ChEBI: CHEBI:31832 IUPAC Name: methyl 2-hydroxybenzoate SMILES: COC(=O)C1=CC=CC=C1O
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| Sinonimo | methyl salicylate,wintergreen oil,gaultheria oil,betula oil,teaberry oil,sweet birch oil,oil of wintergreen,analgit,spicewood oil,2-hydroxybenzoic acid methyl ester |
|---|---|
| Numero MDL | MFCD00002214 |
| PubChem CID | 4133 |
| Formula molecolare | C8H8O3 |
| CAS | 119-36-8 |
| Molecular Weight (g/mol) | 152.149 |
| ChEBI | CHEBI:31832 |
| SMILES | COC(=O)C1=CC=CC=C1O |
| IUPAC Name | methyl 2-hydroxybenzoate |
| InChI Key | OSWPMRLSEDHDFF-UHFFFAOYSA-N |
Anthranilamide, 99+%
CAS: 88-68-6 Formula molecolare: C7H8N2O Molecular Weight (g/mol): 136.15 Numero MDL: MFCD00007981 InChI Key: PXBFMLJZNCDSMP-UHFFFAOYSA-N Sinonimo: anthranilamide,benzamide, 2-amino,o-aminobenzamide,2-carbamoylaniline,aminobenzamide,anthranilimidic acid,benzamide, o-amino,anthranilic acid amide,anthranilamide van,o-aminobenzamide van PubChem CID: 6942 IUPAC Name: 2-aminobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)N
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| Sinonimo | anthranilamide,benzamide, 2-amino,o-aminobenzamide,2-carbamoylaniline,aminobenzamide,anthranilimidic acid,benzamide, o-amino,anthranilic acid amide,anthranilamide van,o-aminobenzamide van |
|---|---|
| Numero MDL | MFCD00007981 |
| PubChem CID | 6942 |
| Formula molecolare | C7H8N2O |
| CAS | 88-68-6 |
| Molecular Weight (g/mol) | 136.15 |
| SMILES | C1=CC=C(C(=C1)C(=O)N)N |
| IUPAC Name | 2-aminobenzamide |
| InChI Key | PXBFMLJZNCDSMP-UHFFFAOYSA-N |
Benzyl alcohol, 99%
CAS: 100-51-6 Formula molecolare: C7H8O Molecular Weight (g/mol): 108.14 Numero MDL: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Sinonimo: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1
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| Sinonimo | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
|---|---|
| Numero MDL | MFCD00004599,MFCD03792087 |
| PubChem CID | 244 |
| Formula molecolare | C7H8O |
| CAS | 100-51-6 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:17987 |
| SMILES | OCC1=CC=CC=C1 |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
2,6-Diisopropylaniline, 90+%
CAS: 24544-04-5 Formula molecolare: C12H19N Molecular Weight (g/mol): 177.29 Numero MDL: MFCD00008887 InChI Key: WKBALTUBRZPIPZ-UHFFFAOYSA-N Sinonimo: 2,6-diisopropylaniline,benzenamine, 2,6-bis 1-methylethyl,2,6-diisopropyl aniline,aniline, 2,6-diisopropyl,diisopropylaniline,2,6-diisopropylphenylamine,2,6-bis propan-2-yl aniline,2,6-dilsopropylaniline,2,6-di propan-2-yl aniline,2,6-bis 1-methylethyl aniline PubChem CID: 32484 IUPAC Name: 2,6-di(propan-2-yl)aniline SMILES: CC(C)C1=C(C(=CC=C1)C(C)C)N
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| Sinonimo | 2,6-diisopropylaniline,benzenamine, 2,6-bis 1-methylethyl,2,6-diisopropyl aniline,aniline, 2,6-diisopropyl,diisopropylaniline,2,6-diisopropylphenylamine,2,6-bis propan-2-yl aniline,2,6-dilsopropylaniline,2,6-di propan-2-yl aniline,2,6-bis 1-methylethyl aniline |
|---|---|
| Numero MDL | MFCD00008887 |
| PubChem CID | 32484 |
| Formula molecolare | C12H19N |
| CAS | 24544-04-5 |
| Molecular Weight (g/mol) | 177.29 |
| SMILES | CC(C)C1=C(C(=CC=C1)C(C)C)N |
| IUPAC Name | 2,6-di(propan-2-yl)aniline |
| InChI Key | WKBALTUBRZPIPZ-UHFFFAOYSA-N |
Phenylacetaldehyde, 95%
CAS: 122-78-1 Formula molecolare: C8H8O Molecular Weight (g/mol): 120.15 Numero MDL: MFCD00006993 InChI Key: DTUQWGWMVIHBKE-UHFFFAOYSA-N Sinonimo: phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde PubChem CID: 998 ChEBI: CHEBI:16424 IUPAC Name: 2-phenylacetaldehyde SMILES: O=CCC1=CC=CC=C1
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| Sinonimo | phenylacetaldehyde,benzeneacetaldehyde,hyacinthin,alpha-tolualdehyde,phenylethanal,2-phenylethanal,phenylacetic aldehyde,alpha-toluic aldehyde,acetaldehyde, phenyl,benzylcarboxaldehyde |
|---|---|
| Numero MDL | MFCD00006993 |
| PubChem CID | 998 |
| Formula molecolare | C8H8O |
| CAS | 122-78-1 |
| Molecular Weight (g/mol) | 120.15 |
| ChEBI | CHEBI:16424 |
| SMILES | O=CCC1=CC=CC=C1 |
| IUPAC Name | 2-phenylacetaldehyde |
| InChI Key | DTUQWGWMVIHBKE-UHFFFAOYSA-N |
5,5'-Dithiobis-(2-nitrobenzoic acid), 99%
CAS: 69-78-3 Formula molecolare: C14H8N2O8S2 Molecular Weight (g/mol): 396.34 Numero MDL: MFCD00007140 InChI Key: KIUMMUBSPKGMOY-UHFFFAOYSA-N Sinonimo: dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid PubChem CID: 6254 ChEBI: CHEBI:86228 IUPAC Name: 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid SMILES: OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O
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| Sinonimo | dtnb,5,5'-dithiobis 2-nitrobenzoic acid,ellman's reagent,3-carboxy-4-nitrophenyl disulfide,dithionitrobenzoic acid,dithiobisnitrobenzoic acid,5,5'-disulfanediylbis 2-nitrobenzoic acid,benzoic acid, 3,3'-dithiobis 6-nitro,3,3'-dithiobis 6-nitrobenzoic acid,5,5'-dithio-bis 2-nitrobenzoic acid |
|---|---|
| Numero MDL | MFCD00007140 |
| PubChem CID | 6254 |
| Formula molecolare | C14H8N2O8S2 |
| CAS | 69-78-3 |
| Molecular Weight (g/mol) | 396.34 |
| ChEBI | CHEBI:86228 |
| SMILES | OC(=O)C1=CC(SSC2=CC=C(C(=C2)C(O)=O)[N+]([O-])=O)=CC=C1[N+]([O-])=O |
| IUPAC Name | 5-[(3-carboxy-4-nitrophenyl)disulfanyl]-2-nitrobenzoic acid |
| InChI Key | KIUMMUBSPKGMOY-UHFFFAOYSA-N |
4-Methoxybenzaldehyde, 98%
CAS: 123-11-5 Formula molecolare: C8H8O2 Molecular Weight (g/mol): 136.15 Numero MDL: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Sinonimo: p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine PubChem CID: 31244 ChEBI: CHEBI:28235 IUPAC Name: 4-methoxybenzaldehyde SMILES: COC1=CC=C(C=C1)C=O
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| Sinonimo | p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine |
|---|---|
| Numero MDL | MFCD00003385 |
| PubChem CID | 31244 |
| Formula molecolare | C8H8O2 |
| CAS | 123-11-5 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28235 |
| SMILES | COC1=CC=C(C=C1)C=O |
| IUPAC Name | 4-methoxybenzaldehyde |
| InChI Key | ZRSNZINYAWTAHE-UHFFFAOYSA-N |