Benzene and substituted derivatives
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5-Chloro-2-fluorobenzaldehyde 98.0+%, TCI America™
CAS: 96515-79-6 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD03094518 InChI Key: WDTUCEMLUHTMCB-UHFFFAOYSA-N Synonym: 2-fluoro-5-chlorobenzaldehyde,3-chloro-6-fluoro benzaldehyde,3-chloro-6-fluorobenzaldehyde,5-chloro-2-fluoro-benzaldehyde,benzaldehyde, 5-chloro-2-fluoro,2-fluoro-5-chloro-benzaldehyde,zlchem 333,pubchem1411,ksc486m0t,2-fluoro-5-chloro benzaldehyde PubChem CID: 2773586 IUPAC Name: 5-chloro-2-fluorobenzaldehyde SMILES: FC1=CC=C(Cl)C=C1C=O
| PubChem CID | 2773586 |
|---|---|
| CAS | 96515-79-6 |
| Molecular Weight (g/mol) | 158.56 |
| MDL Number | MFCD03094518 |
| SMILES | FC1=CC=C(Cl)C=C1C=O |
| Synonym | 2-fluoro-5-chlorobenzaldehyde,3-chloro-6-fluoro benzaldehyde,3-chloro-6-fluorobenzaldehyde,5-chloro-2-fluoro-benzaldehyde,benzaldehyde, 5-chloro-2-fluoro,2-fluoro-5-chloro-benzaldehyde,zlchem 333,pubchem1411,ksc486m0t,2-fluoro-5-chloro benzaldehyde |
| IUPAC Name | 5-chloro-2-fluorobenzaldehyde |
| InChI Key | WDTUCEMLUHTMCB-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
2,3,5-Trichlorobenzaldehyde 95.0+%, TCI America™
CAS: 56961-75-2 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00010860 InChI Key: DJYRZTCLVDKWBL-UHFFFAOYSA-N Synonym: benzaldehyde, 2,3,5-trichloro,ksc606a4b,acmc-1b126,benzaldehyde,2,3,5-trichloro,djyrztclvdkwbl-uhfffaoysa,2,3,5-trichlorobenzaldehyde PubChem CID: 92596 IUPAC Name: 2,3,5-trichlorobenzaldehyde SMILES: ClC1=CC(Cl)=C(Cl)C(C=O)=C1
| PubChem CID | 92596 |
|---|---|
| CAS | 56961-75-2 |
| Molecular Weight (g/mol) | 209.45 |
| MDL Number | MFCD00010860 |
| SMILES | ClC1=CC(Cl)=C(Cl)C(C=O)=C1 |
| Synonym | benzaldehyde, 2,3,5-trichloro,ksc606a4b,acmc-1b126,benzaldehyde,2,3,5-trichloro,djyrztclvdkwbl-uhfffaoysa,2,3,5-trichlorobenzaldehyde |
| IUPAC Name | 2,3,5-trichlorobenzaldehyde |
| InChI Key | DJYRZTCLVDKWBL-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O |
2-Bromo-4-fluorobenzaldehyde 98.0+%, TCI America™
CAS: 59142-68-6 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD00672923 InChI Key: OPZDXMCOWFPQPE-UHFFFAOYSA-N PubChem CID: 2773319 IUPAC Name: 2-bromo-4-fluorobenzaldehyde SMILES: FC1=CC(Br)=C(C=O)C=C1
| PubChem CID | 2773319 |
|---|---|
| CAS | 59142-68-6 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD00672923 |
| SMILES | FC1=CC(Br)=C(C=O)C=C1 |
| IUPAC Name | 2-bromo-4-fluorobenzaldehyde |
| InChI Key | OPZDXMCOWFPQPE-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
Isophthalaldehyde 98.0+%, TCI America™
CAS: 626-19-7 Molecular Formula: C8H6O2 Molecular Weight (g/mol): 134.134 MDL Number: MFCD00003372 InChI Key: IZALUMVGBVKPJD-UHFFFAOYSA-N Synonym: isophthalaldehyde,m-phthalaldehyde,1,3-benzenedicarboxaldehyde,1,3-benzenedialdehyde,isophtaldehydes,isophthaldehyde,isophthaldialdehyde,isophtaldehydes french,isophthalic dicarboxaldehyde,unii-lu162b2n9x PubChem CID: 34777 IUPAC Name: benzene-1,3-dicarbaldehyde SMILES: C1=CC(=CC(=C1)C=O)C=O
| PubChem CID | 34777 |
|---|---|
| CAS | 626-19-7 |
| Molecular Weight (g/mol) | 134.134 |
| MDL Number | MFCD00003372 |
| SMILES | C1=CC(=CC(=C1)C=O)C=O |
| Synonym | isophthalaldehyde,m-phthalaldehyde,1,3-benzenedicarboxaldehyde,1,3-benzenedialdehyde,isophtaldehydes,isophthaldehyde,isophthaldialdehyde,isophtaldehydes french,isophthalic dicarboxaldehyde,unii-lu162b2n9x |
| IUPAC Name | benzene-1,3-dicarbaldehyde |
| InChI Key | IZALUMVGBVKPJD-UHFFFAOYSA-N |
| Molecular Formula | C8H6O2 |
| PubChem CID | 292189 |
|---|---|
| CAS | 40138-16-7 |
| Molecular Weight (g/mol) | 149.94 |
| MDL Number | MFCD00151822 |
| Physical Form | Crystalline Powder |
| TSCA | No |
| IUPAC Name | (2-formylphenyl)boronic acid |
| InChI Key | DGUWACLYDSWXRZ-UHFFFAOYSA-N |
| Molecular Formula | C7H7BO3 |
| Formula Weight | 149.94 |
| Melting Point | 125°C |
3-Iodobenzaldehyde 96.0+%, TCI America™
CAS: 696-41-3 Molecular Formula: C7H5IO Molecular Weight (g/mol): 232.02 MDL Number: MFCD00039573 InChI Key: RZODAQZAFOBFLS-UHFFFAOYSA-N Synonym: 3-iodo-benzaldehyde,3-iodbenzaldehyd,benzaldehyde, 3-iodo,3-iodo benzaldehyde,3-iodanylbenzaldehyde,pubchem3917,acmc-1atsd,1-formyl-3-iodobenzene,m-iodobenzaldehyde,3-iodobenzaldehyde PubChem CID: 252610 IUPAC Name: 3-iodobenzaldehyde SMILES: C1=CC(=CC(=C1)I)C=O
| PubChem CID | 252610 |
|---|---|
| CAS | 696-41-3 |
| Molecular Weight (g/mol) | 232.02 |
| MDL Number | MFCD00039573 |
| SMILES | C1=CC(=CC(=C1)I)C=O |
| Synonym | 3-iodo-benzaldehyde,3-iodbenzaldehyd,benzaldehyde, 3-iodo,3-iodo benzaldehyde,3-iodanylbenzaldehyde,pubchem3917,acmc-1atsd,1-formyl-3-iodobenzene,m-iodobenzaldehyde,3-iodobenzaldehyde |
| IUPAC Name | 3-iodobenzaldehyde |
| InChI Key | RZODAQZAFOBFLS-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO |
3-Chloro-2-fluorobenzaldehyde 95.0+%, TCI America™
CAS: 85070-48-0 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD01631571 InChI Key: YAOZCMANASAVFN-UHFFFAOYSA-N Synonym: 2-fluoro-3-chlorobenzaldehyde,2-fluoro-3-chloro-benzaldehyde,3-chloro-2-fluoro-benzaldehyde,benzaldehyde, 3-chloro-2-fluoro,pubchem1408,acmc-209q3u,2-fluoro chloro benzaldehyde,ksc496e9b,3-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003987 PubChem CID: 736335 IUPAC Name: 3-chloro-2-fluorobenzaldehyde SMILES: FC1=C(Cl)C=CC=C1C=O
| PubChem CID | 736335 |
|---|---|
| CAS | 85070-48-0 |
| Molecular Weight (g/mol) | 158.56 |
| MDL Number | MFCD01631571 |
| SMILES | FC1=C(Cl)C=CC=C1C=O |
| Synonym | 2-fluoro-3-chlorobenzaldehyde,2-fluoro-3-chloro-benzaldehyde,3-chloro-2-fluoro-benzaldehyde,benzaldehyde, 3-chloro-2-fluoro,pubchem1408,acmc-209q3u,2-fluoro chloro benzaldehyde,ksc496e9b,3-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003987 |
| IUPAC Name | 3-chloro-2-fluorobenzaldehyde |
| InChI Key | YAOZCMANASAVFN-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
Diisopropyl Phthalate 98.0+%, TCI America™
CAS: 605-45-8 Molecular Formula: C14H18O4 Molecular Weight (g/mol): 250.29 MDL Number: MFCD00053717 InChI Key: QWDBCIAVABMJPP-UHFFFAOYSA-N Synonym: diisopropyl phthalate,phthalic acid, diisopropyl ester,diisopropyl phthalic acid,unii-bfc138q4px,phthalic acid diisopropyl ester,1,2-benzenedicarboxylic acid, bis 1-methylethyl ester,bfc138q4px,1,2-benzenedicarboxylic acid, 1,2-bis 1-methylethyl ester,methylethyl 2-methylethyl oxycarbonyl benzoate,diisopropylphthalate PubChem CID: 11799 ChEBI: CHEBI:34712 IUPAC Name: 1,2-bis(propan-2-yl) benzene-1,2-dicarboxylate SMILES: CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C
| PubChem CID | 11799 |
|---|---|
| CAS | 605-45-8 |
| Molecular Weight (g/mol) | 250.29 |
| ChEBI | CHEBI:34712 |
| MDL Number | MFCD00053717 |
| SMILES | CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C |
| Synonym | diisopropyl phthalate,phthalic acid, diisopropyl ester,diisopropyl phthalic acid,unii-bfc138q4px,phthalic acid diisopropyl ester,1,2-benzenedicarboxylic acid, bis 1-methylethyl ester,bfc138q4px,1,2-benzenedicarboxylic acid, 1,2-bis 1-methylethyl ester,methylethyl 2-methylethyl oxycarbonyl benzoate,diisopropylphthalate |
| IUPAC Name | 1,2-bis(propan-2-yl) benzene-1,2-dicarboxylate |
| InChI Key | QWDBCIAVABMJPP-UHFFFAOYSA-N |
| Molecular Formula | C14H18O4 |
tert-Butyl Benzoate 98.0+%, TCI America™
CAS: 774-65-2 Molecular Formula: C11H14O2 Molecular Weight (g/mol): 178.231 MDL Number: MFCD00048244 InChI Key: LYDRKKWPKKEMNZ-UHFFFAOYSA-N Synonym: Benzoic Acid tert-Butyl Ester PubChem CID: 69886 ChEBI: CHEBI:34034 IUPAC Name: tert-butyl benzoate SMILES: CC(C)(C)OC(=O)C1=CC=CC=C1
| PubChem CID | 69886 |
|---|---|
| CAS | 774-65-2 |
| Molecular Weight (g/mol) | 178.231 |
| ChEBI | CHEBI:34034 |
| MDL Number | MFCD00048244 |
| SMILES | CC(C)(C)OC(=O)C1=CC=CC=C1 |
| Synonym | Benzoic Acid tert-Butyl Ester |
| IUPAC Name | tert-butyl benzoate |
| InChI Key | LYDRKKWPKKEMNZ-UHFFFAOYSA-N |
| Molecular Formula | C11H14O2 |
Butyl 4-Aminobenzoate 99.0+%, TCI America™
CAS: 94-25-7 Molecular Formula: C11H15NO2 Molecular Weight (g/mol): 193.246 MDL Number: MFCD00017112 InChI Key: IUWVALYLNVXWKX-UHFFFAOYSA-N Synonym: butamben,butesin,butylcaine,butyl aminobenzoate,butesine,butoform,planoform,scuroform,scuroforme,butyl keloform PubChem CID: 2482 ChEBI: CHEBI:3231 IUPAC Name: butyl 4-aminobenzoate SMILES: CCCCOC(=O)C1=CC=C(C=C1)N
| PubChem CID | 2482 |
|---|---|
| CAS | 94-25-7 |
| Molecular Weight (g/mol) | 193.246 |
| ChEBI | CHEBI:3231 |
| MDL Number | MFCD00017112 |
| SMILES | CCCCOC(=O)C1=CC=C(C=C1)N |
| Synonym | butamben,butesin,butylcaine,butyl aminobenzoate,butesine,butoform,planoform,scuroform,scuroforme,butyl keloform |
| IUPAC Name | butyl 4-aminobenzoate |
| InChI Key | IUWVALYLNVXWKX-UHFFFAOYSA-N |
| Molecular Formula | C11H15NO2 |
3-Bromo-2-fluorobenzaldehyde 98.0+%, TCI America™
CAS: 149947-15-9 Molecular Formula: C7H4BrFO Molecular Weight (g/mol): 203.01 MDL Number: MFCD09027089 InChI Key: OUAZPCKRSSEQKB-UHFFFAOYSA-N Synonym: 3-bromo-2-fluorobenzenecarbaldehyde,3-bromo-2-fluorobenzadehyde,2-fluoro-3-bromobenzaldehyde,benzaldehyde,3-bromo-2-fluoro,benzaldehyde, 3-bromo-2-fluoro,3-bromofluorobenzaldehyde,intermediates-zcf02145,acmc-209d3i,3-bromo-2-fluoro-benzaldehyde,3-bromanyl-2-fluoranyl-benzaldehyde PubChem CID: 22019361 IUPAC Name: 3-bromo-2-fluorobenzaldehyde SMILES: C1=CC(=C(C(=C1)Br)F)C=O
| PubChem CID | 22019361 |
|---|---|
| CAS | 149947-15-9 |
| Molecular Weight (g/mol) | 203.01 |
| MDL Number | MFCD09027089 |
| SMILES | C1=CC(=C(C(=C1)Br)F)C=O |
| Synonym | 3-bromo-2-fluorobenzenecarbaldehyde,3-bromo-2-fluorobenzadehyde,2-fluoro-3-bromobenzaldehyde,benzaldehyde,3-bromo-2-fluoro,benzaldehyde, 3-bromo-2-fluoro,3-bromofluorobenzaldehyde,intermediates-zcf02145,acmc-209d3i,3-bromo-2-fluoro-benzaldehyde,3-bromanyl-2-fluoranyl-benzaldehyde |
| IUPAC Name | 3-bromo-2-fluorobenzaldehyde |
| InChI Key | OUAZPCKRSSEQKB-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrFO |
2-Fluoro-4-formylbenzonitrile 97.0+%, TCI America™
CAS: 101048-76-4 Molecular Formula: C8H4FNO Molecular Weight (g/mol): 149.12 MDL Number: MFCD06738989 InChI Key: MYUPCEIJNBAAFL-UHFFFAOYSA-N Synonym: 4-Cyano-3-fluorobenzaldehyde PubChem CID: 11217339 IUPAC Name: 2-fluoro-4-formylbenzonitrile SMILES: FC1=C(C=CC(C=O)=C1)C#N
| PubChem CID | 11217339 |
|---|---|
| CAS | 101048-76-4 |
| Molecular Weight (g/mol) | 149.12 |
| MDL Number | MFCD06738989 |
| SMILES | FC1=C(C=CC(C=O)=C1)C#N |
| Synonym | 4-Cyano-3-fluorobenzaldehyde |
| IUPAC Name | 2-fluoro-4-formylbenzonitrile |
| InChI Key | MYUPCEIJNBAAFL-UHFFFAOYSA-N |
| Molecular Formula | C8H4FNO |
2-Chloro-4-fluorobenzaldehyde 97.0+%, TCI America™
CAS: 84194-36-5 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD00042527 InChI Key: KMQWNQKESAHDKD-UHFFFAOYSA-N Synonym: 2-chloro-4-fluoro-benzaldehyde,benzaldehyde, 2-chloro-4-fluoro,pubchem1433,acmc-209pu2,2-chloro-4-fluorobezaldehyde,ksc448a5h,2-chloro 4-fluorobenzaldehyde,4-fluoro-2-chlorobenzaldehyde,2-chloro 4-fluoro benzaldehyde,timtec-bb sbb003983 PubChem CID: 145024 IUPAC Name: 2-chloro-4-fluorobenzaldehyde SMILES: FC1=CC=C(C=O)C(Cl)=C1
| PubChem CID | 145024 |
|---|---|
| CAS | 84194-36-5 |
| Molecular Weight (g/mol) | 158.56 |
| MDL Number | MFCD00042527 |
| SMILES | FC1=CC=C(C=O)C(Cl)=C1 |
| Synonym | 2-chloro-4-fluoro-benzaldehyde,benzaldehyde, 2-chloro-4-fluoro,pubchem1433,acmc-209pu2,2-chloro-4-fluorobezaldehyde,ksc448a5h,2-chloro 4-fluorobenzaldehyde,4-fluoro-2-chlorobenzaldehyde,2-chloro 4-fluoro benzaldehyde,timtec-bb sbb003983 |
| IUPAC Name | 2-chloro-4-fluorobenzaldehyde |
| InChI Key | KMQWNQKESAHDKD-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
o-Toluic Acid 98.0+%, TCI America™
CAS: 118-90-1 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002477 InChI Key: ZWLPBLYKEWSWPD-UHFFFAOYSA-N Synonym: o-toluic acid,o-toluylic acid,orthotoluic acid,2-toluic acid,toluic acid,benzoic acid, 2-methyl,o-methylbenzoic acid,2-methyl-benzoic acid,benzoic acid, methyl,o-toluate PubChem CID: 8373 ChEBI: CHEBI:36632 IUPAC Name: 2-methylbenzoic acid SMILES: CC1=CC=CC=C1C(=O)O
| PubChem CID | 8373 |
|---|---|
| CAS | 118-90-1 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:36632 |
| MDL Number | MFCD00002477 |
| SMILES | CC1=CC=CC=C1C(=O)O |
| Synonym | o-toluic acid,o-toluylic acid,orthotoluic acid,2-toluic acid,toluic acid,benzoic acid, 2-methyl,o-methylbenzoic acid,2-methyl-benzoic acid,benzoic acid, methyl,o-toluate |
| IUPAC Name | 2-methylbenzoic acid |
| InChI Key | ZWLPBLYKEWSWPD-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
Ethyl 3,4-Diaminobenzoate 98.0+%, TCI America™
CAS: 37466-90-3 Molecular Formula: C9H12N2O2 Molecular Weight (g/mol): 180.207 MDL Number: MFCD00179337 InChI Key: NUJBTXFFJUGENN-UHFFFAOYSA-N Synonym: 3,4-diaminobenzoic acid ethyl ester,3,4-diamino-benzoic acid ethyl ester,benzoic acid, 3,4-diamino-, ethyl ester,ethyl3,4-diaminobenzoate,acmc-1afrr,maybridge3_004764,3,4-diaminobenzoic acid, ethyl ester,4-ethoxycarbonyl benzene-1,2-diamine,4-ethoxycarbonyl phenylene-1,2-diamine PubChem CID: 458855 IUPAC Name: ethyl 3,4-diaminobenzoate SMILES: CCOC(=O)C1=CC(=C(C=C1)N)N
| PubChem CID | 458855 |
|---|---|
| CAS | 37466-90-3 |
| Molecular Weight (g/mol) | 180.207 |
| MDL Number | MFCD00179337 |
| SMILES | CCOC(=O)C1=CC(=C(C=C1)N)N |
| Synonym | 3,4-diaminobenzoic acid ethyl ester,3,4-diamino-benzoic acid ethyl ester,benzoic acid, 3,4-diamino-, ethyl ester,ethyl3,4-diaminobenzoate,acmc-1afrr,maybridge3_004764,3,4-diaminobenzoic acid, ethyl ester,4-ethoxycarbonyl benzene-1,2-diamine,4-ethoxycarbonyl phenylene-1,2-diamine |
| IUPAC Name | ethyl 3,4-diaminobenzoate |
| InChI Key | NUJBTXFFJUGENN-UHFFFAOYSA-N |
| Molecular Formula | C9H12N2O2 |