Benzenoids
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trans-1,2-Dibenzoylethylene, 97%
CAS: 959-28-4 Molecular Formula: C16H12O2 Molecular Weight (g/mol): 236.27 MDL Number: MFCD00003083 InChI Key: WYCXGQSQHAXLPK-VAWYXSNFSA-N Synonym: trans-1,2-dibenzoylethylene,dibenzoylethylene,1,2-dibenzoylethylene,1,4-diphenyl-2-butene-1,4-dione,trans-1,4-diphenyl-2-butene-1,4-dione,1,2-dibenzoylethene,ethylene, 1,2-dibenzoyl,usaf nd-57,2-butene-1,4-dione, 1,4-diphenyl,trans-diphenacylidene PubChem CID: 735960 IUPAC Name: (E)-1,4-diphenylbut-2-ene-1,4-dione SMILES: C1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=CC=C2
| PubChem CID | 735960 |
|---|---|
| CAS | 959-28-4 |
| Molecular Weight (g/mol) | 236.27 |
| MDL Number | MFCD00003083 |
| SMILES | C1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=CC=C2 |
| Synonym | trans-1,2-dibenzoylethylene,dibenzoylethylene,1,2-dibenzoylethylene,1,4-diphenyl-2-butene-1,4-dione,trans-1,4-diphenyl-2-butene-1,4-dione,1,2-dibenzoylethene,ethylene, 1,2-dibenzoyl,usaf nd-57,2-butene-1,4-dione, 1,4-diphenyl,trans-diphenacylidene |
| IUPAC Name | (E)-1,4-diphenylbut-2-ene-1,4-dione |
| InChI Key | WYCXGQSQHAXLPK-VAWYXSNFSA-N |
| Molecular Formula | C16H12O2 |
1,2-Dibenzoylethylene, predominantly trans, 96%
CAS: 959-28-4 Molecular Formula: C16H12O2 Molecular Weight (g/mol): 236.27 MDL Number: MFCD00003083 InChI Key: WYCXGQSQHAXLPK-VAWYXSNFSA-N Synonym: trans-1,2-dibenzoylethylene,dibenzoylethylene,1,2-dibenzoylethylene,1,4-diphenyl-2-butene-1,4-dione,trans-1,4-diphenyl-2-butene-1,4-dione,1,2-dibenzoylethene,ethylene, 1,2-dibenzoyl,usaf nd-57,2-butene-1,4-dione, 1,4-diphenyl,trans-diphenacylidene PubChem CID: 735960 IUPAC Name: (E)-1,4-diphenylbut-2-ene-1,4-dione SMILES: C1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=CC=C2
| PubChem CID | 735960 |
|---|---|
| CAS | 959-28-4 |
| Molecular Weight (g/mol) | 236.27 |
| MDL Number | MFCD00003083 |
| SMILES | C1=CC=C(C=C1)C(=O)C=CC(=O)C2=CC=CC=C2 |
| Synonym | trans-1,2-dibenzoylethylene,dibenzoylethylene,1,2-dibenzoylethylene,1,4-diphenyl-2-butene-1,4-dione,trans-1,4-diphenyl-2-butene-1,4-dione,1,2-dibenzoylethene,ethylene, 1,2-dibenzoyl,usaf nd-57,2-butene-1,4-dione, 1,4-diphenyl,trans-diphenacylidene |
| IUPAC Name | (E)-1,4-diphenylbut-2-ene-1,4-dione |
| InChI Key | WYCXGQSQHAXLPK-VAWYXSNFSA-N |
| Molecular Formula | C16H12O2 |
3,4,5-Trimethoxybenzaldehyde, 99%
CAS: 86-81-7 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.2 MDL Number: MFCD00003364 InChI Key: OPHQOIGEOHXOGX-UHFFFAOYSA-N PubChem CID: 6858 IUPAC Name: 3,4,5-trimethoxybenzaldehyde SMILES: COC1=CC(=CC(=C1OC)OC)C=O
| PubChem CID | 6858 |
|---|---|
| CAS | 86-81-7 |
| Molecular Weight (g/mol) | 196.2 |
| MDL Number | MFCD00003364 |
| SMILES | COC1=CC(=CC(=C1OC)OC)C=O |
| IUPAC Name | 3,4,5-trimethoxybenzaldehyde |
| InChI Key | OPHQOIGEOHXOGX-UHFFFAOYSA-N |
| Molecular Formula | C10H12O4 |
4-Methylbenzoic anhydride, 97%
CAS: 13222-85-0 Molecular Formula: C16H14O3 Molecular Weight (g/mol): 254.285 MDL Number: MFCD00048100 InChI Key: BJMLLSSSTGHJJE-UHFFFAOYSA-N Synonym: 4-methylbenzoic anhydride,4-methylphenyl anhydride,4-methylbenzoic acid anhydride,p-toluic anhydride,4-methylbenzene-1-carboxylic anhydride,4-methylbenzoyl 4-methylbenzoate,bis 4-methylbenzoic anhydride,p-toluylsaureanhydrid,para-toluic anhydride,4-methylbenzoicanhydride PubChem CID: 139413 IUPAC Name: (4-methylbenzoyl) 4-methylbenzoate SMILES: CC1=CC=C(C=C1)C(=O)OC(=O)C2=CC=C(C=C2)C
| PubChem CID | 139413 |
|---|---|
| CAS | 13222-85-0 |
| Molecular Weight (g/mol) | 254.285 |
| MDL Number | MFCD00048100 |
| SMILES | CC1=CC=C(C=C1)C(=O)OC(=O)C2=CC=C(C=C2)C |
| Synonym | 4-methylbenzoic anhydride,4-methylphenyl anhydride,4-methylbenzoic acid anhydride,p-toluic anhydride,4-methylbenzene-1-carboxylic anhydride,4-methylbenzoyl 4-methylbenzoate,bis 4-methylbenzoic anhydride,p-toluylsaureanhydrid,para-toluic anhydride,4-methylbenzoicanhydride |
| IUPAC Name | (4-methylbenzoyl) 4-methylbenzoate |
| InChI Key | BJMLLSSSTGHJJE-UHFFFAOYSA-N |
| Molecular Formula | C16H14O3 |
4-Chloro-3-fluorobenzaldehyde, 98%, Thermo Scientific Chemicals
CAS: 5527-95-7 MDL Number: MFCD00143288 InChI Key: AZMDWRPTDCIFRD-UHFFFAOYSA-N Synonym: 3-fluoro-4-chlorobenzaldehyde,4-chloro-3-fluorobenz-aldehyde,4-chloro-3-fluoro-benzaldehyde,benzaldehyde, 4-chloro-3-fluoro,pubchem1412,acmc-1amt7,ksc494a8n,4-chloro-3-fluoro benzaldehyde,azmdwrptdcifrd-uhfffaoysa PubChem CID: 2724985 IUPAC Name: 4-chloro-3-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)F)Cl
| PubChem CID | 2724985 |
|---|---|
| CAS | 5527-95-7 |
| MDL Number | MFCD00143288 |
| SMILES | C1=CC(=C(C=C1C=O)F)Cl |
| Synonym | 3-fluoro-4-chlorobenzaldehyde,4-chloro-3-fluorobenz-aldehyde,4-chloro-3-fluoro-benzaldehyde,benzaldehyde, 4-chloro-3-fluoro,pubchem1412,acmc-1amt7,ksc494a8n,4-chloro-3-fluoro benzaldehyde,azmdwrptdcifrd-uhfffaoysa |
| IUPAC Name | 4-chloro-3-fluorobenzaldehyde |
| InChI Key | AZMDWRPTDCIFRD-UHFFFAOYSA-N |
Benzyl Benzoate, USP, 99-100.5%, Spectrum™ Chemical
CAS: 120-51-4 Molecular Formula: C14H12O2 Molecular Weight (g/mol): 212.25 MDL Number: MFCD00003075 InChI Key: SESFRYSPDFLNCH-UHFFFAOYSA-N IUPAC Name: benzyl benzoate SMILES: O=C(OCC1=CC=CC=C1)C1=CC=CC=C1
| CAS | 120-51-4 |
|---|---|
| Molecular Weight (g/mol) | 212.25 |
| MDL Number | MFCD00003075 |
| SMILES | O=C(OCC1=CC=CC=C1)C1=CC=CC=C1 |
| IUPAC Name | benzyl benzoate |
| InChI Key | SESFRYSPDFLNCH-UHFFFAOYSA-N |
| Molecular Formula | C14H12O2 |
| CAS | 7035-09-8 |
|---|---|
| MDL Number | MFCD00033854 |
3,4-Dibromobenzaldehyde, 99%
CAS: 74003-55-7 Molecular Formula: C7H4Br2O Molecular Weight (g/mol): 263.916 MDL Number: MFCD00236033 InChI Key: UTYRZXNEFUYFCJ-UHFFFAOYSA-N PubChem CID: 622053 IUPAC Name: 3,4-dibromobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)Br)Br
| PubChem CID | 622053 |
|---|---|
| CAS | 74003-55-7 |
| Molecular Weight (g/mol) | 263.916 |
| MDL Number | MFCD00236033 |
| SMILES | C1=CC(=C(C=C1C=O)Br)Br |
| IUPAC Name | 3,4-dibromobenzaldehyde |
| InChI Key | UTYRZXNEFUYFCJ-UHFFFAOYSA-N |
| Molecular Formula | C7H4Br2O |
3-(1,3-Thiazol-2-yl)benzoic acid, ≥97%, Thermo Scientific™
CAS: 847956-27-8 Molecular Formula: C10H7NO2S Molecular Weight (g/mol): 205.231 MDL Number: MFCD06797800 InChI Key: BLFSSABBFANDKK-UHFFFAOYSA-N PubChem CID: 21075087 IUPAC Name: 3-(1,3-thiazol-2-yl)benzoic acid SMILES: C1=CC(=CC(=C1)C(=O)O)C2=NC=CS2
| PubChem CID | 21075087 |
|---|---|
| CAS | 847956-27-8 |
| Molecular Weight (g/mol) | 205.231 |
| MDL Number | MFCD06797800 |
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=NC=CS2 |
| IUPAC Name | 3-(1,3-thiazol-2-yl)benzoic acid |
| InChI Key | BLFSSABBFANDKK-UHFFFAOYSA-N |
| Molecular Formula | C10H7NO2S |
2,3,4-Trifluorobenzaldehyde, 98%, Thermo Scientific™
CAS: 161793-17-5 Molecular Formula: C7H3F3O Molecular Weight (g/mol): 160.09 MDL Number: MFCD00061230 InChI Key: UQEDGFZRPSAHLC-UHFFFAOYSA-N Synonym: 2,3,4-trifluorobenz-aldehyde,benzaldehyde, 2,3,4-trifluoro,2,3,4-trifluoro benzaldehyde,pubchem4255,intermediates-zcf02215,acmc-209dn7,2,3,4-trilfuorobenzaldehyde,ksc182o7d,2,3,4-trifluoro-benzaldehyde,timtec-bb sbb003969 PubChem CID: 519226 IUPAC Name: 2,3,4-trifluorobenzaldehyde SMILES: C1=CC(=C(C(=C1C=O)F)F)F
| PubChem CID | 519226 |
|---|---|
| CAS | 161793-17-5 |
| Molecular Weight (g/mol) | 160.09 |
| MDL Number | MFCD00061230 |
| SMILES | C1=CC(=C(C(=C1C=O)F)F)F |
| Synonym | 2,3,4-trifluorobenz-aldehyde,benzaldehyde, 2,3,4-trifluoro,2,3,4-trifluoro benzaldehyde,pubchem4255,intermediates-zcf02215,acmc-209dn7,2,3,4-trilfuorobenzaldehyde,ksc182o7d,2,3,4-trifluoro-benzaldehyde,timtec-bb sbb003969 |
| IUPAC Name | 2,3,4-trifluorobenzaldehyde |
| InChI Key | UQEDGFZRPSAHLC-UHFFFAOYSA-N |
| Molecular Formula | C7H3F3O |
3-Bromo-4-fluorobenzaldehyde, 99%
CAS: 77771-02-9 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00042186 InChI Key: FAHZIKXYYRGSHF-UHFFFAOYSA-N Synonym: 4-fluoro-3-bromobenzaldehyde,benzaldehyde, 3-bromo-4-fluoro,3-bromo-4-fluoro-benzaldehyde,3-bromo-4-fluoro benzaldehyde,pubchem2878,acmc-209pbm,3-bromo4fluorobenzaldehyde,3-bromo-4fluorobenzaldehyde,3-bromo4-fluorobenzaldehyde,3bromo-4-fluorobenzaldehyde PubChem CID: 173604 IUPAC Name: 3-bromo-4-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1C=O)Br)F
| PubChem CID | 173604 |
|---|---|
| CAS | 77771-02-9 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00042186 |
| SMILES | C1=CC(=C(C=C1C=O)Br)F |
| Synonym | 4-fluoro-3-bromobenzaldehyde,benzaldehyde, 3-bromo-4-fluoro,3-bromo-4-fluoro-benzaldehyde,3-bromo-4-fluoro benzaldehyde,pubchem2878,acmc-209pbm,3-bromo4fluorobenzaldehyde,3-bromo-4fluorobenzaldehyde,3-bromo4-fluorobenzaldehyde,3bromo-4-fluorobenzaldehyde |
| IUPAC Name | 3-bromo-4-fluorobenzaldehyde |
| InChI Key | FAHZIKXYYRGSHF-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
1-Phenyl-2-propyn-1-one, 97%
CAS: 3623-15-2 Molecular Formula: C9H6O Molecular Weight (g/mol): 130.15 MDL Number: MFCD06661646 InChI Key: JITPLZPWKYUTDM-UHFFFAOYSA-N Synonym: 1-phenyl-2-propyn-1-one,propiolophenone,benzoylacetylene,propynophenone,propioloylbenzene,ethyne, benzoyl,ethynyl phenyl ketone,phenyl ethynyl ketone,3-oxo-3-phenylpropyne,2-propyn-1-one, 1-phenyl PubChem CID: 77179 IUPAC Name: 1-phenylprop-2-yn-1-one SMILES: O=C(C#C)C1=CC=CC=C1
| PubChem CID | 77179 |
|---|---|
| CAS | 3623-15-2 |
| Molecular Weight (g/mol) | 130.15 |
| MDL Number | MFCD06661646 |
| SMILES | O=C(C#C)C1=CC=CC=C1 |
| Synonym | 1-phenyl-2-propyn-1-one,propiolophenone,benzoylacetylene,propynophenone,propioloylbenzene,ethyne, benzoyl,ethynyl phenyl ketone,phenyl ethynyl ketone,3-oxo-3-phenylpropyne,2-propyn-1-one, 1-phenyl |
| IUPAC Name | 1-phenylprop-2-yn-1-one |
| InChI Key | JITPLZPWKYUTDM-UHFFFAOYSA-N |
| Molecular Formula | C9H6O |
m-Tolualdehyde, 98%, stabilized
CAS: 620-23-5 Molecular Formula: C8H8O Molecular Weight (g/mol): 120.15 MDL Number: MFCD00003374 InChI Key: OVWYEQOVUDKZNU-UHFFFAOYSA-N Synonym: m-tolualdehyde,benzaldehyde, 3-methyl,m-methylbenzaldehyde,3-tolylaldehyde,3-tolualdehyde,m-tolyl aldehyde,m-toluylaldehyde,3-methyl-benzaldehyd,unii-owh6650c4y,3-methyl benzaldehyde PubChem CID: 12105 ChEBI: CHEBI:28476 IUPAC Name: 3-methylbenzaldehyde SMILES: CC1=CC=CC(=C1)C=O
| PubChem CID | 12105 |
|---|---|
| CAS | 620-23-5 |
| Molecular Weight (g/mol) | 120.15 |
| ChEBI | CHEBI:28476 |
| MDL Number | MFCD00003374 |
| SMILES | CC1=CC=CC(=C1)C=O |
| Synonym | m-tolualdehyde,benzaldehyde, 3-methyl,m-methylbenzaldehyde,3-tolylaldehyde,3-tolualdehyde,m-tolyl aldehyde,m-toluylaldehyde,3-methyl-benzaldehyd,unii-owh6650c4y,3-methyl benzaldehyde |
| IUPAC Name | 3-methylbenzaldehyde |
| InChI Key | OVWYEQOVUDKZNU-UHFFFAOYSA-N |
| Molecular Formula | C8H8O |
4-Ethynylbenzaldehyde, 95%
CAS: 63697-96-1 Molecular Formula: C9H6O Molecular Weight (g/mol): 130.15 InChI Key: BGMHQBQFJYJLBP-UHFFFAOYSA-N PubChem CID: 2771645 IUPAC Name: 4-ethynylbenzaldehyde SMILES: C#CC1=CC=C(C=C1)C=O
| PubChem CID | 2771645 |
|---|---|
| CAS | 63697-96-1 |
| Molecular Weight (g/mol) | 130.15 |
| SMILES | C#CC1=CC=C(C=C1)C=O |
| IUPAC Name | 4-ethynylbenzaldehyde |
| InChI Key | BGMHQBQFJYJLBP-UHFFFAOYSA-N |
| Molecular Formula | C9H6O |
4-Bromo-2-fluorobenzaldehyde, 97%
CAS: 57848-46-1 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00143261 InChI Key: UPCARQPLANFGQJ-UHFFFAOYSA-N Synonym: 2-fluoro-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-fluoro,4-bromo-2-fluoro-benzaldehyde,pubchem1421,acmc-1awi3,4-bromo-2-flurobenzaldehyde,4-bromo-2 fluorobenzaldehyde,ksc272o0t,2-fluoro-4-bromo-benzaldehyde,4-bromo-2-fluoro benzaldehyde PubChem CID: 143517 IUPAC Name: 4-bromo-2-fluorobenzaldehyde SMILES: FC1=CC(Br)=CC=C1C=O
| PubChem CID | 143517 |
|---|---|
| CAS | 57848-46-1 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00143261 |
| SMILES | FC1=CC(Br)=CC=C1C=O |
| Synonym | 2-fluoro-4-bromobenzaldehyde,benzaldehyde, 4-bromo-2-fluoro,4-bromo-2-fluoro-benzaldehyde,pubchem1421,acmc-1awi3,4-bromo-2-flurobenzaldehyde,4-bromo-2 fluorobenzaldehyde,ksc272o0t,2-fluoro-4-bromo-benzaldehyde,4-bromo-2-fluoro benzaldehyde |
| IUPAC Name | 4-bromo-2-fluorobenzaldehyde |
| InChI Key | UPCARQPLANFGQJ-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |