Benzene and substituted derivatives
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Benzyl Alcohol, 99%, Pure
CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: 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
| PubChem CID | 244 |
|---|---|
| CAS | 100-51-6 |
| Molecular Weight (g/mol) | 108.14 |
| ChEBI | CHEBI:17987 |
| MDL Number | MFCD00004599,MFCD03792087 |
| SMILES | OCC1=CC=CC=C1 |
| Synonym | benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol |
| IUPAC Name | phenylmethanol |
| InChI Key | WVDDGKGOMKODPV-UHFFFAOYSA-N |
| Molecular Formula | C7H8O |
p-Anisaldehyde, 99+%
CAS: 123-11-5 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00003385 InChI Key: ZRSNZINYAWTAHE-UHFFFAOYSA-N Synonym: 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
| PubChem CID | 31244 |
|---|---|
| CAS | 123-11-5 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:28235 |
| MDL Number | MFCD00003385 |
| SMILES | COC1=CC=C(C=C1)C=O |
| Synonym | p-anisaldehyde,anisaldehyde,anisic aldehyde,p-methoxybenzaldehyde,4-anisaldehyde,aubepine,p-anisic aldehyde,p-formylanisole,benzaldehyde, 4-methoxy,crategine |
| IUPAC Name | 4-methoxybenzaldehyde |
| InChI Key | ZRSNZINYAWTAHE-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
4-Dimethylaminobenzaldehyde, 99+%
CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 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
| PubChem CID | 7479 |
|---|---|
| CAS | 100-10-7 |
| Molecular Weight (g/mol) | 149.19 |
| MDL Number | MFCD00003381 |
| SMILES | CN(C)C1=CC=C(C=O)C=C1 |
| Synonym | 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 |
| IUPAC Name | 4-(dimethylamino)benzaldehyde |
| InChI Key | BGNGWHSBYQYVRX-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO |
2-Phenoxyethanol, 99%
CAS: 122-99-6 Molecular Formula: C8H10O2 Molecular Weight (g/mol): 138.17 MDL Number: MFCD00002857 InChI Key: QCDWFXQBSFUVSP-UHFFFAOYSA-N Synonym: 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
| PubChem CID | 31236 |
|---|---|
| CAS | 122-99-6 |
| Molecular Weight (g/mol) | 138.17 |
| ChEBI | CHEBI:64275 |
| MDL Number | MFCD00002857 |
| SMILES | C1=CC=C(C=C1)OCCO |
| Synonym | phenoxyethanol,ethylene glycol monophenyl ether,phenyl cellosolve,ethanol, 2-phenoxy,phenoxytol,phenoxethol,phenoxetol,ethylene glycol phenyl ether,phenoxyethyl alcohol,1-hydroxy-2-phenoxyethane |
| IUPAC Name | 2-phenoxyethanol |
| InChI Key | QCDWFXQBSFUVSP-UHFFFAOYSA-N |
| Molecular Formula | C8H10O2 |
trans-Anethole, 99%
CAS: 4180-23-8 Molecular Formula: C10H12O Molecular Weight (g/mol): 148.2 MDL Number: MFCD00009284 InChI Key: RUVINXPYWBROJD-ONEGZZNKSA-N Synonym: 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
| PubChem CID | 637563 |
|---|---|
| CAS | 4180-23-8 |
| Molecular Weight (g/mol) | 148.2 |
| ChEBI | CHEBI:35616 |
| MDL Number | MFCD00009284 |
| SMILES | CC=CC1=CC=C(C=C1)OC |
| Synonym | 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 |
| IUPAC Name | 1-methoxy-4-[(E)-prop-1-enyl]benzene |
| InChI Key | RUVINXPYWBROJD-ONEGZZNKSA-N |
| Molecular Formula | C10H12O |
Tetrakis(triphenylphosphine)palladium(0), 99%
CAS: 14221-01-3 Molecular Formula: C72H60P4Pd Molecular Weight (g/mol): 1155.59 MDL Number: MFCD00010012 InChI Key: NFHFRUOZVGFOOS-UHFFFAOYSA-N Synonym: tetrakis triphenylphosphine palladium,tetrakis triphenylphosphine palladium 0,pd pph3 4,tetrakis triphenylphosphine palladium o,tetra triphenylphosphine palladium,palladium-tetrakis triphenylphosphine,palladium 0 tetrakis triphenylphosphine,palladium, tetrakis triphenylphosphine-, t-4 PubChem CID: 11979704 IUPAC Name: palladium;triphenylphosphane SMILES: [Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 11979704 |
|---|---|
| CAS | 14221-01-3 |
| Molecular Weight (g/mol) | 1155.59 |
| MDL Number | MFCD00010012 |
| SMILES | [Pd].C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.C1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tetrakis triphenylphosphine palladium,tetrakis triphenylphosphine palladium 0,pd pph3 4,tetrakis triphenylphosphine palladium o,tetra triphenylphosphine palladium,palladium-tetrakis triphenylphosphine,palladium 0 tetrakis triphenylphosphine,palladium, tetrakis triphenylphosphine-, t-4 |
| IUPAC Name | palladium;triphenylphosphane |
| InChI Key | NFHFRUOZVGFOOS-UHFFFAOYSA-N |
| Molecular Formula | C72H60P4Pd |
1,3,5-Trimethoxybenzene, 99%
CAS: 621-23-8 Molecular Formula: C9H12O3 Molecular Weight (g/mol): 168.19 MDL Number: MFCD00008385 InChI Key: LKUDPHPHKOZXCD-UHFFFAOYSA-N Synonym: 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
| PubChem CID | 69301 |
|---|---|
| CAS | 621-23-8 |
| Molecular Weight (g/mol) | 168.19 |
| ChEBI | CHEBI:31038 |
| MDL Number | MFCD00008385 |
| SMILES | COC1=CC(OC)=CC(OC)=C1 |
| Synonym | 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 |
| IUPAC Name | 1,3,5-trimethoxybenzene |
| InChI Key | LKUDPHPHKOZXCD-UHFFFAOYSA-N |
| Molecular Formula | C9H12O3 |
3,4-Diaminobenzoic acid, 97%
CAS: 619-05-6 Molecular Formula: C7H8N2O2 Molecular Weight (g/mol): 152.15 MDL Number: MFCD00007726 InChI Key: HEMGYNNCNNODNX-UHFFFAOYSA-N Synonym: benzoic acid, 3,4-diamino,4-carboxyphenyldiamine,3,4-diamino benzoic acid,4-carboxy-o-phenylenediamine,3,4-diaminobenzoicacid,acmc-209mxf,3,4-diaminobenzoesaeure,3,4 diaminobenzoic acid,3,4-diaminobenzenoic acid,3,4-diamino-benzoic acid PubChem CID: 69263 IUPAC Name: 3,4-diaminobenzoic acid SMILES: C1=CC(=C(C=C1C(=O)O)N)N
| PubChem CID | 69263 |
|---|---|
| CAS | 619-05-6 |
| Molecular Weight (g/mol) | 152.15 |
| MDL Number | MFCD00007726 |
| SMILES | C1=CC(=C(C=C1C(=O)O)N)N |
| Synonym | benzoic acid, 3,4-diamino,4-carboxyphenyldiamine,3,4-diamino benzoic acid,4-carboxy-o-phenylenediamine,3,4-diaminobenzoicacid,acmc-209mxf,3,4-diaminobenzoesaeure,3,4 diaminobenzoic acid,3,4-diaminobenzenoic acid,3,4-diamino-benzoic acid |
| IUPAC Name | 3,4-diaminobenzoic acid |
| InChI Key | HEMGYNNCNNODNX-UHFFFAOYSA-N |
| Molecular Formula | C7H8N2O2 |
4-Aminobenzoic acid, 99%
CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: 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
| PubChem CID | 978 |
|---|---|
| CAS | 150-13-0 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:30753 |
| MDL Number | MFCD00007894 |
| SMILES | NC1=CC=C(C=C1)C(O)=O |
| Synonym | p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino |
| IUPAC Name | 4-aminobenzoic acid |
| InChI Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |
Ethyl 4-hydroxybenzoate, 99%
CAS: 120-47-8 Molecular Formula: C9H10O3 Molecular Weight (g/mol): 166.18 MDL Number: MFCD00002353 InChI Key: NUVBSKCKDOMJSU-UHFFFAOYSA-N Synonym: ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e PubChem CID: 8434 ChEBI: CHEBI:86616 IUPAC Name: ethyl 4-hydroxybenzoate SMILES: CCOC(=O)C1=CC=C(C=C1)O
| PubChem CID | 8434 |
|---|---|
| CAS | 120-47-8 |
| Molecular Weight (g/mol) | 166.18 |
| ChEBI | CHEBI:86616 |
| MDL Number | MFCD00002353 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)O |
| Synonym | ethylparaben,ethyl paraben,ethyl p-hydroxybenzoate,mycocten,ethyl parasept,4-hydroxybenzoic acid ethyl ester,easeptol,ethyl butex,ethyl parahydroxybenzoate,tegosept e |
| IUPAC Name | ethyl 4-hydroxybenzoate |
| InChI Key | NUVBSKCKDOMJSU-UHFFFAOYSA-N |
| Molecular Formula | C9H10O3 |
Thermo Scientific Chemicals Tetrabromophenolphthalein ethyl ester, pure
CAS: 1176-74-5 Molecular Formula: C22H14Br4O4 Molecular Weight (g/mol): 661.96 MDL Number: MFCD00066387 InChI Key: SQFXATUXPUCFFO-UHFFFAOYSA-N Synonym: tetrabromophenolphthalein ethyl ester,3',3,5',5-tetrabromophenolphthalein ethyl ester,ethyl tetrabromophenolphthalein,unii-6d91ns781o,ethyl 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl benzoate,3 inverted exclamation marka,3 inverted exclamation marka,5 inverted exclamation marka,5 inverted exclamation marka-tetrabromophenolphthalein ethyl ester,benzoic acid, 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-, ethyl ester,benzoic acid,2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-,ethyl ester,ethyl 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene methyl benzoate PubChem CID: 92873 IUPAC Name: ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate SMILES: CCOC(=O)C1=CC=CC=C1C(=C2C=C(C(=O)C(=C2)Br)Br)C3=CC(=C(C(=C3)Br)O)Br
| PubChem CID | 92873 |
|---|---|
| CAS | 1176-74-5 |
| Molecular Weight (g/mol) | 661.96 |
| MDL Number | MFCD00066387 |
| SMILES | CCOC(=O)C1=CC=CC=C1C(=C2C=C(C(=O)C(=C2)Br)Br)C3=CC(=C(C(=C3)Br)O)Br |
| Synonym | tetrabromophenolphthalein ethyl ester,3',3,5',5-tetrabromophenolphthalein ethyl ester,ethyl tetrabromophenolphthalein,unii-6d91ns781o,ethyl 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl benzoate,3 inverted exclamation marka,3 inverted exclamation marka,5 inverted exclamation marka,5 inverted exclamation marka-tetrabromophenolphthalein ethyl ester,benzoic acid, 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-, ethyl ester,benzoic acid,2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene methyl-,ethyl ester,ethyl 2-3,5-dibromo-4-hydroxyphenyl 3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene methyl benzoate |
| IUPAC Name | ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate |
| InChI Key | SQFXATUXPUCFFO-UHFFFAOYSA-N |
| Molecular Formula | C22H14Br4O4 |
Benzoic acid, 99.6%, ACS reagent
CAS: 65-85-0 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.12 InChI Key: WPYMKLBDIGXBTP-UHFFFAOYSA-N Synonym: 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
| PubChem CID | 243 |
|---|---|
| CAS | 65-85-0 |
| Molecular Weight (g/mol) | 122.12 |
| ChEBI | CHEBI:30746 |
| SMILES | C1=CC=C(C=C1)C(=O)O |
| Synonym | benzenecarboxylic acid,dracylic acid,benzeneformic acid,carboxybenzene,phenylformic acid,benzenemethanoic acid,phenylcarboxylic acid,retardex,benzoesaeure gk,benzoesaeure gv |
| IUPAC Name | benzoic acid |
| InChI Key | WPYMKLBDIGXBTP-UHFFFAOYSA-N |
| Molecular Formula | C7H6O2 |
1,6-Diphenyl-1,3,5-hexatriene, 95%
CAS: 1720-32-7 Molecular Formula: C18H16 Molecular Weight (g/mol): 232.32 MDL Number: MFCD00004793 InChI Key: BOBLSBAZCVBABY-WPWUJOAOSA-N Synonym: 1,6-diphenyl-1,3,5-hexatriene,1,6-diphenylhexatriene,diphenylhexatriene,dicinnamyl,1,6-diphenylhexa-1,3,5-triene,benzene, 1,1'-1,3,5-hexatriene-1,6-diyl bis,1,3,5-hexatriene, 1,6-diphenyl,1e,3e,5e-6-phenylhexa-1,3,5-trienyl benzene,1,1'-1e,3e,5e-hexa-1,3,5-triene-1,6-diyldibenzene PubChem CID: 5376733 ChEBI: CHEBI:51594 IUPAC Name: [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene SMILES: C1=CC=C(C=C1)C=CC=CC=CC2=CC=CC=C2
| PubChem CID | 5376733 |
|---|---|
| CAS | 1720-32-7 |
| Molecular Weight (g/mol) | 232.32 |
| ChEBI | CHEBI:51594 |
| MDL Number | MFCD00004793 |
| SMILES | C1=CC=C(C=C1)C=CC=CC=CC2=CC=CC=C2 |
| Synonym | 1,6-diphenyl-1,3,5-hexatriene,1,6-diphenylhexatriene,diphenylhexatriene,dicinnamyl,1,6-diphenylhexa-1,3,5-triene,benzene, 1,1'-1,3,5-hexatriene-1,6-diyl bis,1,3,5-hexatriene, 1,6-diphenyl,1e,3e,5e-6-phenylhexa-1,3,5-trienyl benzene,1,1'-1e,3e,5e-hexa-1,3,5-triene-1,6-diyldibenzene |
| IUPAC Name | [(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene |
| InChI Key | BOBLSBAZCVBABY-WPWUJOAOSA-N |
| Molecular Formula | C18H16 |
4-Aminobenzoic Acid, 99%
CAS: 150-13-0 Molecular Formula: C7H7NO2 Molecular Weight (g/mol): 137.14 MDL Number: MFCD00007894 InChI Key: ALYNCZNDIQEVRV-UHFFFAOYSA-N Synonym: 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
| PubChem CID | 978 |
|---|---|
| CAS | 150-13-0 |
| Molecular Weight (g/mol) | 137.14 |
| ChEBI | CHEBI:30753 |
| MDL Number | MFCD00007894 |
| SMILES | NC1=CC=C(C=C1)C(O)=O |
| Synonym | p-aminobenzoic acid,paba,para-aminobenzoic acid,vitamin bx,sunbrella,p-carboxyaniline,4-carboxyaniline,hachemina,paraminol,benzoic acid, 4-amino |
| IUPAC Name | 4-aminobenzoic acid |
| InChI Key | ALYNCZNDIQEVRV-UHFFFAOYSA-N |
| Molecular Formula | C7H7NO2 |