Benzene and substituted derivatives
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Diethyl 4,4'-Biphenyldicarboxylate 98.0+%, TCI America™
CAS: 47230-38-6 Molecular Formula: C18H18O4 Molecular Weight (g/mol): 298.34 MDL Number: MFCD00017270 InChI Key: SYTZNHBXNLYWAK-UHFFFAOYSA-N Synonym: diethyl 4,4'-biphenyldicarboxylate,diethyl biphenyl-4,4'-dicarboxylate,diethyl 1,1'-biphenyl-4,4'-dicarboxylate,ethyl 4-4-ethoxycarbonylphenyl benzoate,diethyl-4,4'-diphenyldicarboxylate,diethyl biphenyl 4,4'-dicarboxylate,ethyl 4-4-ethoxycarbonyl phenyl benzoate,4,4'-biphenyldicarboxylic acid diethyl ester,4,4'-diethyl 1,1'-biphenyl-4,4'-dicarboxylate,acmc-1apwf PubChem CID: 261553 IUPAC Name: 4,4'-diethyl [1,1'-biphenyl]-4,4'-dicarboxylate SMILES: CCOC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)OCC
| PubChem CID | 261553 |
|---|---|
| CAS | 47230-38-6 |
| Molecular Weight (g/mol) | 298.34 |
| MDL Number | MFCD00017270 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)C(=O)OCC |
| Synonym | diethyl 4,4'-biphenyldicarboxylate,diethyl biphenyl-4,4'-dicarboxylate,diethyl 1,1'-biphenyl-4,4'-dicarboxylate,ethyl 4-4-ethoxycarbonylphenyl benzoate,diethyl-4,4'-diphenyldicarboxylate,diethyl biphenyl 4,4'-dicarboxylate,ethyl 4-4-ethoxycarbonyl phenyl benzoate,4,4'-biphenyldicarboxylic acid diethyl ester,4,4'-diethyl 1,1'-biphenyl-4,4'-dicarboxylate,acmc-1apwf |
| IUPAC Name | 4,4'-diethyl [1,1'-biphenyl]-4,4'-dicarboxylate |
| InChI Key | SYTZNHBXNLYWAK-UHFFFAOYSA-N |
| Molecular Formula | C18H18O4 |
N-Methoxy-N-methylbenzamide 98.0+%, TCI America™
CAS: 6919-61-5 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00075320 InChI Key: UKERDACREYXSIV-UHFFFAOYSA-N Synonym: n-methyl-n-methoxybenzamide,benzamide, n-methoxy-n-methyl,n-methoxy-n-methyl-benzamide,methyl n-methylbenzohydroxamate,pubchem17496,acmc-1b5bp,n-methoxy-n-methylbenzamid,n-methoxy-n-methyl benzamide,ksc445c3n,n-methoxy-n-methylbenzamide PubChem CID: 569575 ChEBI: CHEBI:59742 IUPAC Name: N-methoxy-N-methylbenzamide SMILES: CN(C(=O)C1=CC=CC=C1)OC
| PubChem CID | 569575 |
|---|---|
| CAS | 6919-61-5 |
| Molecular Weight (g/mol) | 165.192 |
| ChEBI | CHEBI:59742 |
| MDL Number | MFCD00075320 |
| SMILES | CN(C(=O)C1=CC=CC=C1)OC |
| Synonym | n-methyl-n-methoxybenzamide,benzamide, n-methoxy-n-methyl,n-methoxy-n-methyl-benzamide,methyl n-methylbenzohydroxamate,pubchem17496,acmc-1b5bp,n-methoxy-n-methylbenzamid,n-methoxy-n-methyl benzamide,ksc445c3n,n-methoxy-n-methylbenzamide |
| IUPAC Name | N-methoxy-N-methylbenzamide |
| InChI Key | UKERDACREYXSIV-UHFFFAOYSA-N |
| Molecular Formula | C9H11NO2 |
Isopropyl Benzoate 99.0+%, TCI America™
CAS: 939-48-0 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00048289 InChI Key: FEXQDZTYJVXMOS-UHFFFAOYSA-N Synonym: Benzoic Acid Isopropyl Ester PubChem CID: 13654 IUPAC Name: propan-2-yl benzoate SMILES: CC(C)OC(=O)C1=CC=CC=C1
| PubChem CID | 13654 |
|---|---|
| CAS | 939-48-0 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00048289 |
| SMILES | CC(C)OC(=O)C1=CC=CC=C1 |
| Synonym | Benzoic Acid Isopropyl Ester |
| IUPAC Name | propan-2-yl benzoate |
| InChI Key | FEXQDZTYJVXMOS-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
2-Bromo-4-chlorobenzaldehyde 97.0+%, TCI America™
CAS: 84459-33-6 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.46 MDL Number: MFCD09056792 InChI Key: AJOAHIKYBSZIEV-UHFFFAOYSA-N PubChem CID: 13154710 IUPAC Name: 2-bromo-4-chlorobenzaldehyde SMILES: ClC1=CC(Br)=C(C=O)C=C1
| PubChem CID | 13154710 |
|---|---|
| CAS | 84459-33-6 |
| Molecular Weight (g/mol) | 219.46 |
| MDL Number | MFCD09056792 |
| SMILES | ClC1=CC(Br)=C(C=O)C=C1 |
| IUPAC Name | 2-bromo-4-chlorobenzaldehyde |
| InChI Key | AJOAHIKYBSZIEV-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO |
2-Bromo-5-fluorobenzaldehyde 95.0+%, TCI America™
CAS: 94569-84-3 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00142872 InChI Key: CJUCIKJLMFVWIS-UHFFFAOYSA-N Synonym: benzaldehyde, 2-bromo-5-fluoro,2-bromo-5-fluorobenzaldhyde,5-fluoro-2-bromo benzaldehyde,2-bromo-5-fluoro-benzaldehyde,pubchem1418,acmc-209rsk,ksc494g0d,2-bromo-5-fluoro benzaldehyde,2-bromo-5-fluorobenzaldehyde PubChem CID: 2773321 IUPAC Name: 2-bromo-5-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1F)C=O)Br
| PubChem CID | 2773321 |
|---|---|
| CAS | 94569-84-3 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00142872 |
| SMILES | C1=CC(=C(C=C1F)C=O)Br |
| Synonym | benzaldehyde, 2-bromo-5-fluoro,2-bromo-5-fluorobenzaldhyde,5-fluoro-2-bromo benzaldehyde,2-bromo-5-fluoro-benzaldehyde,pubchem1418,acmc-209rsk,ksc494g0d,2-bromo-5-fluoro benzaldehyde,2-bromo-5-fluorobenzaldehyde |
| IUPAC Name | 2-bromo-5-fluorobenzaldehyde |
| InChI Key | CJUCIKJLMFVWIS-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
Aniline Hydrogen Phthalate 98.0+%, TCI America™
CAS: 50930-79-5 Molecular Formula: C14H13NO4 Molecular Weight (g/mol): 259.261 MDL Number: MFCD00042034 InChI Key: QGPZXNSBZMHHSR-UHFFFAOYSA-N Synonym: aniline hydrogen phthalate,aniline phthalate,aniline; phthalic acid,1,2-benzenedicarboxylic acid, compd. with benzenamine 1:1,c8h6o4.c6h7n,phthalic acid, compound with aniline 1:1,aniline hydrogenphthalate,aniline hydrogen phtalate,aniline phthalate solution,phthalic acid aniline salt PubChem CID: 170940 IUPAC Name: aniline;phthalic acid SMILES: C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O
| PubChem CID | 170940 |
|---|---|
| CAS | 50930-79-5 |
| Molecular Weight (g/mol) | 259.261 |
| MDL Number | MFCD00042034 |
| SMILES | C1=CC=C(C=C1)N.C1=CC=C(C(=C1)C(=O)O)C(=O)O |
| Synonym | aniline hydrogen phthalate,aniline phthalate,aniline; phthalic acid,1,2-benzenedicarboxylic acid, compd. with benzenamine 1:1,c8h6o4.c6h7n,phthalic acid, compound with aniline 1:1,aniline hydrogenphthalate,aniline hydrogen phtalate,aniline phthalate solution,phthalic acid aniline salt |
| IUPAC Name | aniline;phthalic acid |
| InChI Key | QGPZXNSBZMHHSR-UHFFFAOYSA-N |
| Molecular Formula | C14H13NO4 |
2,4,6-Trifluorobenzaldehyde 98.0+%, TCI America™
CAS: 58551-83-0 Molecular Formula: C7H3F3O Molecular Weight (g/mol): 160.095 MDL Number: MFCD00061197 InChI Key: KPJIEPBITZLHPQ-UHFFFAOYSA-N Synonym: benzaldehyde, 2,4,6-trifluoro,2,4,6-ttrifluorobenzaldehyde,pubchem1416,acmc-209m5d,2,4,6 trifluorobenzaldehyde,ksc272c8l,2,4,6-trifluoro benzaldehyde,2,4,6-trifluoro-benzaldehyde PubChem CID: 521845 IUPAC Name: 2,4,6-trifluorobenzaldehyde SMILES: C1=C(C=C(C(=C1F)C=O)F)F
| PubChem CID | 521845 |
|---|---|
| CAS | 58551-83-0 |
| Molecular Weight (g/mol) | 160.095 |
| MDL Number | MFCD00061197 |
| SMILES | C1=C(C=C(C(=C1F)C=O)F)F |
| Synonym | benzaldehyde, 2,4,6-trifluoro,2,4,6-ttrifluorobenzaldehyde,pubchem1416,acmc-209m5d,2,4,6 trifluorobenzaldehyde,ksc272c8l,2,4,6-trifluoro benzaldehyde,2,4,6-trifluoro-benzaldehyde |
| IUPAC Name | 2,4,6-trifluorobenzaldehyde |
| InChI Key | KPJIEPBITZLHPQ-UHFFFAOYSA-N |
| Molecular Formula | C7H3F3O |
4,4'-Biphenyldicarboxylic Acid 97.0+%, TCI America™
CAS: 787-70-2 Molecular Formula: C14H10O4 Molecular Weight (g/mol): 242.23 MDL Number: MFCD00002554 InChI Key: NEQFBGHQPUXOFH-UHFFFAOYSA-N Synonym: biphenyl-4,4'-dicarboxylic acid,4,4'-biphenyldicarboxylic acid,1,1'-biphenyl-4,4'-dicarboxylic acid,4-4-carboxyphenyl benzoic acid,4,4'-bibenzoic acid,4,4'-diphenic acid,4,4'-dicarboxybiphenyl,p,p'-diphenic acid,usaf do-69,bibenzoic acid PubChem CID: 13084 IUPAC Name: 4-(4-carboxyphenyl)benzoic acid SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O
| PubChem CID | 13084 |
|---|---|
| CAS | 787-70-2 |
| Molecular Weight (g/mol) | 242.23 |
| MDL Number | MFCD00002554 |
| SMILES | C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O |
| Synonym | biphenyl-4,4'-dicarboxylic acid,4,4'-biphenyldicarboxylic acid,1,1'-biphenyl-4,4'-dicarboxylic acid,4-4-carboxyphenyl benzoic acid,4,4'-bibenzoic acid,4,4'-diphenic acid,4,4'-dicarboxybiphenyl,p,p'-diphenic acid,usaf do-69,bibenzoic acid |
| IUPAC Name | 4-(4-carboxyphenyl)benzoic acid |
| InChI Key | NEQFBGHQPUXOFH-UHFFFAOYSA-N |
| Molecular Formula | C14H10O4 |
Benzoyl Cyanide 98.0+%, TCI America™
CAS: 613-90-1 Molecular Formula: C8H5NO Molecular Weight (g/mol): 131.134 MDL Number: MFCD00001837 InChI Key: GJQBHOAJJGIPRH-UHFFFAOYSA-N Synonym: phenylglyoxylonitrile,benzoyl nitrile,benzoylcyanide,oxo phenyl acetonitrile,alpha-oxobenzeneacetonitrile,benzeneacetonitrile, .alpha.-oxo,glyoxylonitrile, phenyl,alpha-oxo-alpha-tolunitrile,2-oxo-2-phenylethanenitrile,alpha-tolunitrile, alpha-oxo PubChem CID: 11953 ChEBI: CHEBI:51853 IUPAC Name: benzoyl cyanide SMILES: C1=CC=C(C=C1)C(=O)C#N
| PubChem CID | 11953 |
|---|---|
| CAS | 613-90-1 |
| Molecular Weight (g/mol) | 131.134 |
| ChEBI | CHEBI:51853 |
| MDL Number | MFCD00001837 |
| SMILES | C1=CC=C(C=C1)C(=O)C#N |
| Synonym | phenylglyoxylonitrile,benzoyl nitrile,benzoylcyanide,oxo phenyl acetonitrile,alpha-oxobenzeneacetonitrile,benzeneacetonitrile, .alpha.-oxo,glyoxylonitrile, phenyl,alpha-oxo-alpha-tolunitrile,2-oxo-2-phenylethanenitrile,alpha-tolunitrile, alpha-oxo |
| IUPAC Name | benzoyl cyanide |
| InChI Key | GJQBHOAJJGIPRH-UHFFFAOYSA-N |
| Molecular Formula | C8H5NO |
3-Bromo-4-fluorobenzaldehyde 97.0+%, TCI America™
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 |
3,5-Dimethylbenzaldehyde 96.0+%, TCI America™
CAS: 5779-95-3 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00082777 InChI Key: NBEFMISJJNGCIZ-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-dimethyl,3,5-dimethyl benzaldehyde,m-xylene-5-carboxaldehyde,3,5-dimethyl-benzaldehyde,pubchem15515,acmc-1arkp,3,5-dimehtylbenzaldehyde,#,ksc494c0b,3,5-dimethylbenzaldehyde PubChem CID: 34225 IUPAC Name: 3,5-dimethylbenzaldehyde SMILES: CC1=CC(=CC(=C1)C=O)C
| PubChem CID | 34225 |
|---|---|
| CAS | 5779-95-3 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00082777 |
| SMILES | CC1=CC(=CC(=C1)C=O)C |
| Synonym | benzaldehyde, 3,5-dimethyl,3,5-dimethyl benzaldehyde,m-xylene-5-carboxaldehyde,3,5-dimethyl-benzaldehyde,pubchem15515,acmc-1arkp,3,5-dimehtylbenzaldehyde,#,ksc494c0b,3,5-dimethylbenzaldehyde |
| IUPAC Name | 3,5-dimethylbenzaldehyde |
| InChI Key | NBEFMISJJNGCIZ-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |
2,3,6-Trifluorobenzaldehyde 98.0+%, TCI America™
CAS: 104451-70-9 Molecular Formula: C7H3F3O Molecular Weight (g/mol): 160.10 MDL Number: MFCD00061195 InChI Key: XSBAHBVACIKRTG-UHFFFAOYSA-N Synonym: benzaldehyde, 2,3,6-trifluoro,2,3,6-trifluoro-benzaldehyde,pubchem1467,acmc-1bqm6,2,3,6-trifluorobenzoaldehyde,ksc494g2t,2,3,6-trifluoro benzaldehyde,timtec-bb sbb003970,attercop-chm at111497 PubChem CID: 517845 IUPAC Name: 2,3,6-trifluorobenzaldehyde SMILES: FC1=CC=C(F)C(C=O)=C1F
| PubChem CID | 517845 |
|---|---|
| CAS | 104451-70-9 |
| Molecular Weight (g/mol) | 160.10 |
| MDL Number | MFCD00061195 |
| SMILES | FC1=CC=C(F)C(C=O)=C1F |
| Synonym | benzaldehyde, 2,3,6-trifluoro,2,3,6-trifluoro-benzaldehyde,pubchem1467,acmc-1bqm6,2,3,6-trifluorobenzoaldehyde,ksc494g2t,2,3,6-trifluoro benzaldehyde,timtec-bb sbb003970,attercop-chm at111497 |
| IUPAC Name | 2,3,6-trifluorobenzaldehyde |
| InChI Key | XSBAHBVACIKRTG-UHFFFAOYSA-N |
| Molecular Formula | C7H3F3O |
3,5-Difluorobenzaldehyde 98.0+%, TCI America™
CAS: 32085-88-4 Molecular Formula: C7H4F2O Molecular Weight (g/mol): 142.105 MDL Number: MFCD00010329 InChI Key: ASOFZHSTJHGQDT-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-difluoro,3,5-difluoro-benzaldehyde,pubchem1414,3,5difluorobenzaldehyde,acmc-1aewe,3,5-diflourobenzaldehyde,3-5-difluorobenzaldehyde,3, 5-difluorobenzaldehyde,ksc224o7p,3,5-difluorophenyl methanone PubChem CID: 588160 IUPAC Name: 3,5-difluorobenzaldehyde SMILES: C1=C(C=C(C=C1F)F)C=O
| PubChem CID | 588160 |
|---|---|
| CAS | 32085-88-4 |
| Molecular Weight (g/mol) | 142.105 |
| MDL Number | MFCD00010329 |
| SMILES | C1=C(C=C(C=C1F)F)C=O |
| Synonym | benzaldehyde, 3,5-difluoro,3,5-difluoro-benzaldehyde,pubchem1414,3,5difluorobenzaldehyde,acmc-1aewe,3,5-diflourobenzaldehyde,3-5-difluorobenzaldehyde,3, 5-difluorobenzaldehyde,ksc224o7p,3,5-difluorophenyl methanone |
| IUPAC Name | 3,5-difluorobenzaldehyde |
| InChI Key | ASOFZHSTJHGQDT-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O |
2-Fluoro-p-anisaldehyde 96.0+%, TCI America™
CAS: 331-64-6 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00236679 InChI Key: UNWQNFJBBWXFBG-UHFFFAOYSA-N Synonym: 2-fluoro-p-anisaldehyde,2-fluoro-4-methoxy-benzaldehyde,2-fluoro-4-methoxy benzaldehyde,benzaldehyde, 2-fluoro-4-methoxy,2-fluoro-4-methoxybenzaldhyde,pubchem1447,acmc-209hyt,3-fluoro-4-formylanisole,2-fluor-4-methoxybenzaldehyd PubChem CID: 2734873 IUPAC Name: 2-fluoro-4-methoxybenzaldehyde SMILES: COC1=CC=C(C=O)C(F)=C1
| PubChem CID | 2734873 |
|---|---|
| CAS | 331-64-6 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00236679 |
| SMILES | COC1=CC=C(C=O)C(F)=C1 |
| Synonym | 2-fluoro-p-anisaldehyde,2-fluoro-4-methoxy-benzaldehyde,2-fluoro-4-methoxy benzaldehyde,benzaldehyde, 2-fluoro-4-methoxy,2-fluoro-4-methoxybenzaldhyde,pubchem1447,acmc-209hyt,3-fluoro-4-formylanisole,2-fluor-4-methoxybenzaldehyd |
| IUPAC Name | 2-fluoro-4-methoxybenzaldehyde |
| InChI Key | UNWQNFJBBWXFBG-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
2,6-Dimethylbenzaldehyde 97.0+%, TCI America™
CAS: 1123-56-4 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00128003 InChI Key: QOJQBWSZHCKOLL-UHFFFAOYSA-N Synonym: m-xylene-2-carboxaldehyde,2,6-dimethyl-benzaldehyde,2-formyl-m-xylene,benzaldehyde, 2,6-dimethyl,2,6-dimethylbenzaldehyd,acmc-1bown,2,6-dimethyl benzaldehyde,ksc493s1p,pharmabridge p-2713,2,6-dimethylbenzaldehyde PubChem CID: 583841 IUPAC Name: 2,6-dimethylbenzaldehyde SMILES: CC1=C(C(=CC=C1)C)C=O
| PubChem CID | 583841 |
|---|---|
| CAS | 1123-56-4 |
| Molecular Weight (g/mol) | 134.178 |
| MDL Number | MFCD00128003 |
| SMILES | CC1=C(C(=CC=C1)C)C=O |
| Synonym | m-xylene-2-carboxaldehyde,2,6-dimethyl-benzaldehyde,2-formyl-m-xylene,benzaldehyde, 2,6-dimethyl,2,6-dimethylbenzaldehyd,acmc-1bown,2,6-dimethyl benzaldehyde,ksc493s1p,pharmabridge p-2713,2,6-dimethylbenzaldehyde |
| IUPAC Name | 2,6-dimethylbenzaldehyde |
| InChI Key | QOJQBWSZHCKOLL-UHFFFAOYSA-N |
| Molecular Formula | C9H10O |