Benzene and substituted derivatives
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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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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 |
1,3,5-Trimethoxybenzene, 99%
CAS: 621-23-8 Formula molecolare: C9H12O3 Molecular Weight (g/mol): 168.19 Numero MDL: MFCD00008385 InChI Key: LKUDPHPHKOZXCD-UHFFFAOYSA-N Sinonimo: phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259 PubChem CID: 69301 ChEBI: CHEBI:31038 IUPAC Name: 1,3,5-trimethoxybenzene SMILES: COC1=CC(OC)=CC(OC)=C1
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| Sinonimo | phloroglucinol trimethyl ether,sym-trimethoxybenzene,benzene, 1,3,5-trimethoxy,1,3,5-trimethyoxybenzene,unii-00vji3vg3d,1,3,5-trimethoxy benzene,o,o,o-1,3,5-trimethylresorcinol,00vji3vg3d,dsstox_cid_25963,dsstox_rid_81259 |
|---|---|
| Numero MDL | MFCD00008385 |
| PubChem CID | 69301 |
| Formula molecolare | C9H12O3 |
| CAS | 621-23-8 |
| Molecular Weight (g/mol) | 168.19 |
| ChEBI | CHEBI:31038 |
| SMILES | COC1=CC(OC)=CC(OC)=C1 |
| IUPAC Name | 1,3,5-trimethoxybenzene |
| InChI Key | LKUDPHPHKOZXCD-UHFFFAOYSA-N |
trans-Anethole, 99%
CAS: 4180-23-8 Formula molecolare: C10H12O Molecular Weight (g/mol): 148.2 Numero MDL: MFCD00009284 InChI Key: RUVINXPYWBROJD-ONEGZZNKSA-N Sinonimo: anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole PubChem CID: 637563 ChEBI: CHEBI:35616 IUPAC Name: 1-methoxy-4-[(E)-prop-1-enyl]benzene SMILES: CC=CC1=CC=C(C=C1)OC
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| Sinonimo | anethole,trans-anethole,e-anethole,4-propenylanisole,anise camphor,trans-anethol,isoestragole,e-1-methoxy-4-prop-1-en-1-yl benzene,anethol,p-anethole |
|---|---|
| Numero MDL | MFCD00009284 |
| PubChem CID | 637563 |
| Formula molecolare | C10H12O |
| CAS | 4180-23-8 |
| Molecular Weight (g/mol) | 148.2 |
| ChEBI | CHEBI:35616 |
| SMILES | CC=CC1=CC=C(C=C1)OC |
| IUPAC Name | 1-methoxy-4-[(E)-prop-1-enyl]benzene |
| InChI Key | RUVINXPYWBROJD-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 |
4-Dimethylaminobenzaldehyde, 99+%
CAS: 100-10-7 Formula molecolare: C9H11NO Molecular Weight (g/mol): 149.19 Numero MDL: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Sinonimo: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1
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| Sinonimo | 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal |
|---|---|
| Numero MDL | MFCD00003381 |
| PubChem CID | 7479 |
| Formula molecolare | C9H11NO |
| CAS | 100-10-7 |
| Molecular Weight (g/mol) | 149.19 |
| SMILES | CN(C)C1=CC=C(C=O)C=C1 |
| IUPAC Name | 4-(dimethylamino)benzaldehyde |
| InChI Key | BGNGWHSBYQYVRX-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 |
Thermo Scientific Chemicals Basic Fuchsin
CAS: 632-99-5 Formula molecolare: C20H20ClN3 Molecular Weight (g/mol): 337.85 Numero MDL: MFCD00012569 InChI Key: AXDJCCTWPBKUKL-UHFFFAOYSA-N Sinonimo: basic violet 14,fuchsin,fuchsin basic,magenta,rosaniline,fuchsine,basic fuchsine,basic magenta,rose aniline,fuchsin, basic PubChem CID: 12447 IUPAC Name: 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride SMILES: [H+].[Cl-].CC1=CC(C=CC1=N)=C(C1=CC=C(N)C=C1)C1=CC=C(N)C=C1
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| Sinonimo | basic violet 14,fuchsin,fuchsin basic,magenta,rosaniline,fuchsine,basic fuchsine,basic magenta,rose aniline,fuchsin, basic |
|---|---|
| Numero MDL | MFCD00012569 |
| PubChem CID | 12447 |
| Formula molecolare | C20H20ClN3 |
| CAS | 632-99-5 |
| Molecular Weight (g/mol) | 337.85 |
| SMILES | [H+].[Cl-].CC1=CC(C=CC1=N)=C(C1=CC=C(N)C=C1)C1=CC=C(N)C=C1 |
| IUPAC Name | 4-[(4-aminophenyl)-(4-imino-3-methylcyclohexa-2,5-dien-1-ylidene)methyl]aniline;hydrochloride |
| InChI Key | AXDJCCTWPBKUKL-UHFFFAOYSA-N |
Benzophenone, 99%, pure
CAS: 119-61-9 Formula molecolare: C13H10O Molecular Weight (g/mol): 182.22 InChI Key: RWCCWEUUXYIKHB-UHFFFAOYSA-N Sinonimo: benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone PubChem CID: 3102 ChEBI: CHEBI:41308 IUPAC Name: diphenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
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| Sinonimo | benzophenone,diphenyl ketone,benzoylbenzene,phenyl ketone,methanone, diphenyl,alpha-oxoditane,ketone, diphenyl,benzene, benzoyl,alpha-oxodiphenylmethane,diphenylketone |
|---|---|
| PubChem CID | 3102 |
| Formula molecolare | C13H10O |
| CAS | 119-61-9 |
| Molecular Weight (g/mol) | 182.22 |
| ChEBI | CHEBI:41308 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC=CC=C2 |
| IUPAC Name | diphenylmethanone |
| InChI Key | RWCCWEUUXYIKHB-UHFFFAOYSA-N |
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 |
p-Toluenesulfonyl isocyanate, 96%
CAS: 4083-64-1 Formula molecolare: C8H7NO3S Molecular Weight (g/mol): 197.21 Numero MDL: MFCD00002030 InChI Key: VLJQDHDVZJXNQL-UHFFFAOYSA-N Sinonimo: tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate PubChem CID: 77703 IUPAC Name: 4-methyl-N-(oxomethylidene)benzenesulfonamide SMILES: CC1=CC=C(C=C1)S(=O)(=O)N=C=O
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| Sinonimo | tosyl isocyanate,p-toluenesulfonyl isocyanate,4-methylbenzenesulfonyl isocyanate,p-toluenesulphonyl isocyanate,benzenesulfonyl isocyanate, 4-methyl,tosylisocyanate,p-tolylsulfonyl isocyanate,unii-h9004fjx6v,p-toluenesulfonic acid, anhydride with isocyanic acid,p-toluene sulfonyl isocyanate |
|---|---|
| Numero MDL | MFCD00002030 |
| PubChem CID | 77703 |
| Formula molecolare | C8H7NO3S |
| CAS | 4083-64-1 |
| Molecular Weight (g/mol) | 197.21 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N=C=O |
| IUPAC Name | 4-methyl-N-(oxomethylidene)benzenesulfonamide |
| InChI Key | VLJQDHDVZJXNQL-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 |
Iodobenzene, 98%
CAS: 591-50-4 Formula molecolare: C6H5I Molecular Weight (g/mol): 204.01 Numero MDL: MFCD00001029 InChI Key: SNHMUERNLJLMHN-UHFFFAOYSA-N Sinonimo: benzene, iodo,phenyl iodide,benzene iodide,iodophenyl,iodinebenzol,iodo-benzene,phenyliodide,iodo benzene,unii-9hk5l7ybbr,1-iodobenzene PubChem CID: 11575 IUPAC Name: iodobenzene SMILES: IC1=CC=CC=C1
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| Sinonimo | benzene, iodo,phenyl iodide,benzene iodide,iodophenyl,iodinebenzol,iodo-benzene,phenyliodide,iodo benzene,unii-9hk5l7ybbr,1-iodobenzene |
|---|---|
| Numero MDL | MFCD00001029 |
| PubChem CID | 11575 |
| Formula molecolare | C6H5I |
| CAS | 591-50-4 |
| Molecular Weight (g/mol) | 204.01 |
| SMILES | IC1=CC=CC=C1 |
| IUPAC Name | iodobenzene |
| InChI Key | SNHMUERNLJLMHN-UHFFFAOYSA-N |
Propyl 4-hydroxybenzoate, 99+%
CAS: 94-13-3 Formula molecolare: C10H12O3 Molecular Weight (g/mol): 180.2 Numero MDL: MFCD00002354 InChI Key: QELSKZZBTMNZEB-UHFFFAOYSA-N Sinonimo: 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
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| Sinonimo | propylparaben,propyl paraben,4-hydroxybenzoic acid propyl ester,propyl p-hydroxybenzoate,nipasol,nipazol,propyl butex,betacide p,propyl parahydroxybenzoate,propylparasept |
|---|---|
| Numero MDL | MFCD00002354 |
| PubChem CID | 7175 |
| Formula molecolare | C10H12O3 |
| CAS | 94-13-3 |
| Molecular Weight (g/mol) | 180.2 |
| ChEBI | CHEBI:32063 |
| SMILES | CCCOC(=O)C1=CC=C(C=C1)O |
| IUPAC Name | propyl 4-hydroxybenzoate |
| InChI Key | QELSKZZBTMNZEB-UHFFFAOYSA-N |