Benzenoids
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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
| 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 |
Benzoic acid, 99.6%, ACS reagent
CAS: 65-85-0 Formula molecolare: C7H6O2 Molecular Weight (g/mol): 122.12 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Sinonimo: benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv PubChem CID: 243 ChEBI: CHEBI:30746 IUPAC Name: benzoic acid SMILES: C1=CC=C(C=C1)C(=O)O
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| Sinonimo | benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv |
|---|---|
| PubChem CID | 243 |
| Formula molecolare | C7H6O2 |
| CAS | 65-85-0 |
| Molecular Weight (g/mol) | 122.12 |
| ChEBI | CHEBI:30746 |
| SMILES | C1=CC=C(C=C1)C(=O)O |
| IUPAC Name | benzoic acid |
| InChI Key | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
Vitamin K{1}
CAS: 84-80-0 Formula molecolare: C31H46O2 Molecular Weight (g/mol): 450.707 Numero MDL: MFCD00214063 InChI Key: MBWXNTAXLNYFJB-NKFFZRIASA-N Sinonimo: vitamin k1,phytonadione,phylloquinone,phytylmenadione,phyllochinon,phytomenadione,alpha-phylloquinone,3-phytylmenadione,konakion,2-methyl-3-phytyl-1,4-naphthoquinone PubChem CID: 5284607 ChEBI: CHEBI:18067 IUPAC Name: 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione SMILES: CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C
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| Sinonimo | vitamin k1,phytonadione,phylloquinone,phytylmenadione,phyllochinon,phytomenadione,alpha-phylloquinone,3-phytylmenadione,konakion,2-methyl-3-phytyl-1,4-naphthoquinone |
|---|---|
| Numero MDL | MFCD00214063 |
| PubChem CID | 5284607 |
| Formula molecolare | C31H46O2 |
| CAS | 84-80-0 |
| Molecular Weight (g/mol) | 450.707 |
| ChEBI | CHEBI:18067 |
| SMILES | CC1=C(C(=O)C2=CC=CC=C2C1=O)CC=C(C)CCCC(C)CCCC(C)CCCC(C)C |
| IUPAC Name | 2-methyl-3-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphthalene-1,4-dione |
| InChI Key | MBWXNTAXLNYFJB-NKFFZRIASA-N |
Eugenol, 99%
CAS: 97-53-0 Formula molecolare: C10H12O2 Molecular Weight (g/mol): 164.20 Numero MDL: MFCD00008654 InChI Key: RRAFCDWBNXTKKO-UHFFFAOYSA-N Sinonimo: eugenol,4-allylguaiacol,4-allyl-2-methoxyphenol,eugenic acid,allylguaiacol,caryophyllic acid,p-allylguaiacol,p-eugenol,2-methoxy-4-allylphenol,engenol PubChem CID: 3314 ChEBI: CHEBI:4917 SMILES: COC1=CC(CC=C)=CC=C1O
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| Sinonimo | eugenol,4-allylguaiacol,4-allyl-2-methoxyphenol,eugenic acid,allylguaiacol,caryophyllic acid,p-allylguaiacol,p-eugenol,2-methoxy-4-allylphenol,engenol |
|---|---|
| Numero MDL | MFCD00008654 |
| PubChem CID | 3314 |
| Formula molecolare | C10H12O2 |
| CAS | 97-53-0 |
| Molecular Weight (g/mol) | 164.20 |
| ChEBI | CHEBI:4917 |
| SMILES | COC1=CC(CC=C)=CC=C1O |
| InChI Key | RRAFCDWBNXTKKO-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 |
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 |
Guaiacol, 99+%
CAS: 90-05-1 Formula molecolare: C7H8O2 Molecular Weight (g/mol): 124.14 InChI Key: LHGVFZTZFXWLCP-UHFFFAOYSA-N Sinonimo: guaiacol,o-methoxyphenol,2-hydroxyanisole,phenol, 2-methoxy,pyrocatechol monomethyl ether,methylcatechol,guaiastil,guaicol,1-hydroxy-2-methoxybenzene,pyroguaiac acid PubChem CID: 460 ChEBI: CHEBI:28591 IUPAC Name: 2-methoxyphenol SMILES: COC1=CC=CC=C1O
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| Sinonimo | guaiacol,o-methoxyphenol,2-hydroxyanisole,phenol, 2-methoxy,pyrocatechol monomethyl ether,methylcatechol,guaiastil,guaicol,1-hydroxy-2-methoxybenzene,pyroguaiac acid |
|---|---|
| PubChem CID | 460 |
| Formula molecolare | C7H8O2 |
| CAS | 90-05-1 |
| Molecular Weight (g/mol) | 124.14 |
| ChEBI | CHEBI:28591 |
| SMILES | COC1=CC=CC=C1O |
| IUPAC Name | 2-methoxyphenol |
| InChI Key | LHGVFZTZFXWLCP-UHFFFAOYSA-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 |
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 |
Calconcarboxylic acid
CAS: 3737-95-9 Formula molecolare: C21H14N2O7S Molecular Weight (g/mol): 438.41 Numero MDL: MFCD00004078 InChI Key: ULIVOAKVRBXKKS-PYCFMQQDSA-N Sinonimo: calconcarboxylic acid,patton-reeder indicator,calconcarbonic acid,calcon 3-carboxylic acid,patton and reeder's indicator,2-hydroxy-1-2-hydroxy-4-sulfo-1-napthylazo-3-naphthoic acid,2,2'-dihydroxy-4'-sulpho-1,1'-azonaphthalene-3-carboxylic acid,2-naphthalenecarboxylic acid, 3-hydroxy-4-2-hydroxy-4-sulfo-1-naphthalenyl azo,nn PubChem CID: 5895210 IUPAC Name: 3-hydroxy-4-[(2Z)-2-(2-oxo-4-sulfonaphthalen-1-ylidene)hydrazinyl]naphthalene-2-carboxylic acid SMILES: C1=CC=C2C(=C1)C=C(C(=C2NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O)O)C(=O)O
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| Sinonimo | calconcarboxylic acid,patton-reeder indicator,calconcarbonic acid,calcon 3-carboxylic acid,patton and reeder's indicator,2-hydroxy-1-2-hydroxy-4-sulfo-1-napthylazo-3-naphthoic acid,2,2'-dihydroxy-4'-sulpho-1,1'-azonaphthalene-3-carboxylic acid,2-naphthalenecarboxylic acid, 3-hydroxy-4-2-hydroxy-4-sulfo-1-naphthalenyl azo,nn |
|---|---|
| Numero MDL | MFCD00004078 |
| PubChem CID | 5895210 |
| Formula molecolare | C21H14N2O7S |
| CAS | 3737-95-9 |
| Molecular Weight (g/mol) | 438.41 |
| SMILES | C1=CC=C2C(=C1)C=C(C(=C2NN=C3C4=CC=CC=C4C(=CC3=O)S(=O)(=O)O)O)C(=O)O |
| IUPAC Name | 3-hydroxy-4-[(2Z)-2-(2-oxo-4-sulfonaphthalen-1-ylidene)hydrazinyl]naphthalene-2-carboxylic acid |
| InChI Key | ULIVOAKVRBXKKS-PYCFMQQDSA-N |
Thimerosal
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3,5-Dinitrosalicylic acid, 98%
CAS: 609-99-4 Formula molecolare: C7H4N2O7 Molecular Weight (g/mol): 228.12 Numero MDL: MFCD00007104 InChI Key: LWFUFLREGJMOIZ-UHFFFAOYSA-N Sinonimo: 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid PubChem CID: 11873 ChEBI: CHEBI:53648 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]
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| Sinonimo | 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid |
|---|---|
| Numero MDL | MFCD00007104 |
| PubChem CID | 11873 |
| Formula molecolare | C7H4N2O7 |
| CAS | 609-99-4 |
| Molecular Weight (g/mol) | 228.12 |
| ChEBI | CHEBI:53648 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-] |
| InChI Key | LWFUFLREGJMOIZ-UHFFFAOYSA-N |
Ethyl Benzoate, 99+%
CAS: 93-89-0 Formula molecolare: C9H10O2 Molecular Weight (g/mol): 150.18 Numero MDL: MFCD00009109 InChI Key: MTZQAGJQAFMTAQ-UHFFFAOYSA-N Sinonimo: benzoic acid, ethyl ester,benzoic ether,ethyl benzenecarboxylate,ethylbenzoate,benzoyl ethyl ether,benzoic acid ethyl ester,ethylester kyseliny benzoove,natural,unii-j115brj15h,fema no. 2422 PubChem CID: 7165 IUPAC Name: ethyl benzoate SMILES: CCOC(=O)C1=CC=CC=C1
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| Sinonimo | benzoic acid, ethyl ester,benzoic ether,ethyl benzenecarboxylate,ethylbenzoate,benzoyl ethyl ether,benzoic acid ethyl ester,ethylester kyseliny benzoove,natural,unii-j115brj15h,fema no. 2422 |
|---|---|
| Numero MDL | MFCD00009109 |
| PubChem CID | 7165 |
| Formula molecolare | C9H10O2 |
| CAS | 93-89-0 |
| Molecular Weight (g/mol) | 150.18 |
| SMILES | CCOC(=O)C1=CC=CC=C1 |
| IUPAC Name | ethyl benzoate |
| InChI Key | MTZQAGJQAFMTAQ-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 |
3,5-Dinitrosalicylic acid, 97+%
CAS: 609-99-4 Formula molecolare: C7H4N2O7 Molecular Weight (g/mol): 228.116 Numero MDL: MFCD00007104 InChI Key: LWFUFLREGJMOIZ-UHFFFAOYSA-N Sinonimo: 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid PubChem CID: 11873 ChEBI: CHEBI:53648 SMILES: C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-]
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| Sinonimo | 3,5-dinitrosalicylic acid,2-hydroxy-3,5-dinitrobenzoic acid,3,5-dinitro-2-hydroxybenzoic acid,3,5-dinitrosalicylate,benzoic acid, 2-hydroxy-3,5-dinitro,salicylic acid, 3,5-dinitro,dnsa,o-dncp,o-dinitrocarboxylphenol,3,5-dinitro-2-salicylic acid |
|---|---|
| Numero MDL | MFCD00007104 |
| PubChem CID | 11873 |
| Formula molecolare | C7H4N2O7 |
| CAS | 609-99-4 |
| Molecular Weight (g/mol) | 228.116 |
| ChEBI | CHEBI:53648 |
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])O)C(=O)O)[N+](=O)[O-] |
| InChI Key | LWFUFLREGJMOIZ-UHFFFAOYSA-N |