Benzene and substituted derivatives
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m-Toluic Acid 98.0+%, TCI America™
CAS: 99-04-7 Molecular Formula: C8H8O2 Molecular Weight (g/mol): 136.15 MDL Number: MFCD00002523 InChI Key: GPSDUZXPYCFOSQ-UHFFFAOYSA-N Synonym: m-toluic acid,m-toluylic acid,3-toluic acid,benzoic acid, 3-methyl,meta-toluic acid,m-methylbenzoic acid,beta-methylbenzoic acid,3-methyl-benzoic acid,beta-bethylbenzoic acid,unii-1ua7k8eext PubChem CID: 7418 ChEBI: CHEBI:10589 IUPAC Name: 3-methylbenzoic acid SMILES: CC1=CC=CC(=C1)C(O)=O
| PubChem CID | 7418 |
|---|---|
| CAS | 99-04-7 |
| Molecular Weight (g/mol) | 136.15 |
| ChEBI | CHEBI:10589 |
| MDL Number | MFCD00002523 |
| SMILES | CC1=CC=CC(=C1)C(O)=O |
| Synonym | m-toluic acid,m-toluylic acid,3-toluic acid,benzoic acid, 3-methyl,meta-toluic acid,m-methylbenzoic acid,beta-methylbenzoic acid,3-methyl-benzoic acid,beta-bethylbenzoic acid,unii-1ua7k8eext |
| IUPAC Name | 3-methylbenzoic acid |
| InChI Key | GPSDUZXPYCFOSQ-UHFFFAOYSA-N |
| Molecular Formula | C8H8O2 |
4-Ethylbenzoic Acid 98.0+%, TCI America™
CAS: 619-64-7 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002570 InChI Key: ZQVKTHRQIXSMGY-UHFFFAOYSA-N Synonym: benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid; PubChem CID: 12086 IUPAC Name: 4-ethylbenzoic acid SMILES: CCC1=CC=C(C=C1)C(=O)O
| PubChem CID | 12086 |
|---|---|
| CAS | 619-64-7 |
| Molecular Weight (g/mol) | 150.177 |
| MDL Number | MFCD00002570 |
| SMILES | CCC1=CC=C(C=C1)C(=O)O |
| Synonym | benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid; |
| IUPAC Name | 4-ethylbenzoic acid |
| InChI Key | ZQVKTHRQIXSMGY-UHFFFAOYSA-N |
| Molecular Formula | C9H10O2 |
4-Chloro-2-fluorobenzaldehyde 98.0+%, TCI America™
CAS: 61072-56-8 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.556 MDL Number: MFCD00143282 InChI Key: UVGYSEIWAOOIJR-UHFFFAOYSA-N Synonym: 2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985 PubChem CID: 2724908 IUPAC Name: 4-chloro-2-fluorobenzaldehyde SMILES: C1=CC(=C(C=C1Cl)F)C=O
| PubChem CID | 2724908 |
|---|---|
| CAS | 61072-56-8 |
| Molecular Weight (g/mol) | 158.556 |
| MDL Number | MFCD00143282 |
| SMILES | C1=CC(=C(C=C1Cl)F)C=O |
| Synonym | 2-fluoro-4-chlorobenzaldehyde,benzaldehyde, 4-chloro-2-fluoro,4-chloranyl-2-fluoranyl-benzaldehyde,pubchem1435,acmc-1b5ai,ksc494c2f,3-fluoro-4-formylchlorobenzene,4-chloro-2-fluoro-benzaldehyde,4-chloro-2-fluoro-benzoaldehyde,timtec-bb sbb003985 |
| IUPAC Name | 4-chloro-2-fluorobenzaldehyde |
| InChI Key | UVGYSEIWAOOIJR-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
Propyl Benzoate 99.0+%, TCI America™
CAS: 2315-68-6 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00009370 InChI Key: UDEWPOVQBGFNGE-UHFFFAOYSA-N Synonym: n-propyl benzoate,benzoic acid, propyl ester,benzoic acid n-propyl ester,propyl benzenecarboxylate,benzoic acid propyl ester,unii-vwk210b7ws,benzoate de propyle,vwk210b7ws,dsstox_cid_24878,dsstox_rid_80552 PubChem CID: 16846 IUPAC Name: propyl benzoate SMILES: CCCOC(=O)C1=CC=CC=C1
| PubChem CID | 16846 |
|---|---|
| CAS | 2315-68-6 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00009370 |
| SMILES | CCCOC(=O)C1=CC=CC=C1 |
| Synonym | n-propyl benzoate,benzoic acid, propyl ester,benzoic acid n-propyl ester,propyl benzenecarboxylate,benzoic acid propyl ester,unii-vwk210b7ws,benzoate de propyle,vwk210b7ws,dsstox_cid_24878,dsstox_rid_80552 |
| IUPAC Name | propyl benzoate |
| InChI Key | UDEWPOVQBGFNGE-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
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 |
4-Bromo-2,6-difluorobenzaldehyde 98.0+%, TCI America™
CAS: 537013-51-7 Molecular Formula: C7H3BrF2O Molecular Weight (g/mol): 221.00 MDL Number: MFCD03094459 InChI Key: CZGVAISJIQNQEJ-UHFFFAOYSA-N Synonym: 4-bromo-2,6-difluorobenzylaldehyde,4-bromo-2,6-difluoro-benzaldehyde,benzaldehyde, 4-bromo-2,6-difluoro,2,6-difluoro-4-bromobenzaldehyde,2,6-difluoro-4-bromo benzaldehyde,pubchem4165,acmc-209l9s,ksc911q5f,4-bromo 2,6-difluorobenzaldehyde,2,6-difluoro-4-bromo-benzaldehyde PubChem CID: 2773290 IUPAC Name: 4-bromo-2,6-difluorobenzaldehyde SMILES: FC1=CC(Br)=CC(F)=C1C=O
| PubChem CID | 2773290 |
|---|---|
| CAS | 537013-51-7 |
| Molecular Weight (g/mol) | 221.00 |
| MDL Number | MFCD03094459 |
| SMILES | FC1=CC(Br)=CC(F)=C1C=O |
| Synonym | 4-bromo-2,6-difluorobenzylaldehyde,4-bromo-2,6-difluoro-benzaldehyde,benzaldehyde, 4-bromo-2,6-difluoro,2,6-difluoro-4-bromobenzaldehyde,2,6-difluoro-4-bromo benzaldehyde,pubchem4165,acmc-209l9s,ksc911q5f,4-bromo 2,6-difluorobenzaldehyde,2,6-difluoro-4-bromo-benzaldehyde |
| IUPAC Name | 4-bromo-2,6-difluorobenzaldehyde |
| InChI Key | CZGVAISJIQNQEJ-UHFFFAOYSA-N |
| Molecular Formula | C7H3BrF2O |
4-Chlorobutyl Benzoate 98.0+%, TCI America™
CAS: 946-02-1 Molecular Formula: C11H13ClO2 Molecular Weight (g/mol): 212.673 MDL Number: MFCD00019005 InChI Key: XFFQVVCNZAYQSJ-UHFFFAOYSA-N Synonym: Benzoic Acid 4-Chlorobutyl Ester PubChem CID: 136761 IUPAC Name: 4-chlorobutyl benzoate SMILES: C1=CC=C(C=C1)C(=O)OCCCCCl
| PubChem CID | 136761 |
|---|---|
| CAS | 946-02-1 |
| Molecular Weight (g/mol) | 212.673 |
| MDL Number | MFCD00019005 |
| SMILES | C1=CC=C(C=C1)C(=O)OCCCCCl |
| Synonym | Benzoic Acid 4-Chlorobutyl Ester |
| IUPAC Name | 4-chlorobutyl benzoate |
| InChI Key | XFFQVVCNZAYQSJ-UHFFFAOYSA-N |
| Molecular Formula | C11H13ClO2 |
5-Methyl-2-(2H-1,2,3-triazol-2-yl)benzoic Acid 98.0+%, TCI America™
CAS: 956317-36-5 Molecular Formula: C10H9N3O2 Molecular Weight (g/mol): 203.201 MDL Number: MFCD18382679 InChI Key: SRBAGFIYKNQXDV-UHFFFAOYSA-N PubChem CID: 53260165 IUPAC Name: 5-methyl-2-(triazol-2-yl)benzoic acid SMILES: CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)O
| PubChem CID | 53260165 |
|---|---|
| CAS | 956317-36-5 |
| Molecular Weight (g/mol) | 203.201 |
| MDL Number | MFCD18382679 |
| SMILES | CC1=CC(=C(C=C1)N2N=CC=N2)C(=O)O |
| IUPAC Name | 5-methyl-2-(triazol-2-yl)benzoic acid |
| InChI Key | SRBAGFIYKNQXDV-UHFFFAOYSA-N |
| Molecular Formula | C10H9N3O2 |
2-Fluoro-4-methylbenzoic Acid 98.0+%, TCI America™
CAS: 7697-23-6 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD03092906 InChI Key: ALFWHEYHCZRVLO-UHFFFAOYSA-N Synonym: 2-fluoro-4-methyl-benzoic acid,2-fluoro-p-toluic acid,2-fluoro-4-methylbenzoicacid,benzoic acid, 2-fluoro-4-methyl,pubchem1395,acmc-1bbau,4-carboxy-3-fluorotoluene,ksc377a4r,rarechem al bo 2237,2-fluoro-4-methyl benzoic acid PubChem CID: 2736145 IUPAC Name: 2-fluoro-4-methylbenzoic acid SMILES: CC1=CC=C(C(O)=O)C(F)=C1
| PubChem CID | 2736145 |
|---|---|
| CAS | 7697-23-6 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD03092906 |
| SMILES | CC1=CC=C(C(O)=O)C(F)=C1 |
| Synonym | 2-fluoro-4-methyl-benzoic acid,2-fluoro-p-toluic acid,2-fluoro-4-methylbenzoicacid,benzoic acid, 2-fluoro-4-methyl,pubchem1395,acmc-1bbau,4-carboxy-3-fluorotoluene,ksc377a4r,rarechem al bo 2237,2-fluoro-4-methyl benzoic acid |
| IUPAC Name | 2-fluoro-4-methylbenzoic acid |
| InChI Key | ALFWHEYHCZRVLO-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
Methyl 4-Bromo-2-chlorobenzoate 98.0+%, TCI America™
CAS: 185312-82-7 Molecular Formula: C8H6BrClO2 Molecular Weight (g/mol): 249.488 MDL Number: MFCD10566823 InChI Key: JSNXIWYWUKTWAX-UHFFFAOYSA-N Synonym: 4-Bromo-2-chlorobenzoic Acid Methyl Ester PubChem CID: 22058730 IUPAC Name: methyl 4-bromo-2-chlorobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)Br)Cl
| PubChem CID | 22058730 |
|---|---|
| CAS | 185312-82-7 |
| Molecular Weight (g/mol) | 249.488 |
| MDL Number | MFCD10566823 |
| SMILES | COC(=O)C1=C(C=C(C=C1)Br)Cl |
| Synonym | 4-Bromo-2-chlorobenzoic Acid Methyl Ester |
| IUPAC Name | methyl 4-bromo-2-chlorobenzoate |
| InChI Key | JSNXIWYWUKTWAX-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrClO2 |
Methyl 2-Iodobenzoate 98.0+%, TCI America™
CAS: 610-97-9 Molecular Formula: C8H7IO2 Molecular Weight (g/mol): 262.046 MDL Number: MFCD00016351 InChI Key: BXXLTVBTDZXPTN-UHFFFAOYSA-N Synonym: 2-iodobenzoic acid methyl ester,methyl o-iodobenzoate,methyl-2-iodobenzoate,benzoic acid, 2-iodo-, methyl ester,2-iodo-benzoic acid methyl ester,methyl2-iodobenzoate,benzoic acid, o-iodo-, methyl ester,methyl 2-iodo-benzoate,pubchem10568,acmc-209mp0 PubChem CID: 69132 IUPAC Name: methyl 2-iodobenzoate SMILES: COC(=O)C1=CC=CC=C1I
| PubChem CID | 69132 |
|---|---|
| CAS | 610-97-9 |
| Molecular Weight (g/mol) | 262.046 |
| MDL Number | MFCD00016351 |
| SMILES | COC(=O)C1=CC=CC=C1I |
| Synonym | 2-iodobenzoic acid methyl ester,methyl o-iodobenzoate,methyl-2-iodobenzoate,benzoic acid, 2-iodo-, methyl ester,2-iodo-benzoic acid methyl ester,methyl2-iodobenzoate,benzoic acid, o-iodo-, methyl ester,methyl 2-iodo-benzoate,pubchem10568,acmc-209mp0 |
| IUPAC Name | methyl 2-iodobenzoate |
| InChI Key | BXXLTVBTDZXPTN-UHFFFAOYSA-N |
| Molecular Formula | C8H7IO2 |
4-Chloro-2-fluorobenzoic Acid 98.0+%, TCI America™
CAS: 446-30-0 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.555 MDL Number: MFCD00042468 InChI Key: ZLPXBWMVZANJJQ-UHFFFAOYSA-N Synonym: 2-fluoro-4-chlorobenzoic acid,benzoic acid, 4-chloro-2-fluoro,4-chloro-2-fluorobenzoicacid,4-chloro-2-fluoro-benzoic acid,pubchem1374,acmc-209jz4,ksc237m4j,rarechem al bo 0755,4-chloro-2-fluoro benzoic acid,timtec-bb sbb003797 PubChem CID: 99152 IUPAC Name: 4-chloro-2-fluorobenzoic acid SMILES: C1=CC(=C(C=C1Cl)F)C(=O)O
| PubChem CID | 99152 |
|---|---|
| CAS | 446-30-0 |
| Molecular Weight (g/mol) | 174.555 |
| MDL Number | MFCD00042468 |
| SMILES | C1=CC(=C(C=C1Cl)F)C(=O)O |
| Synonym | 2-fluoro-4-chlorobenzoic acid,benzoic acid, 4-chloro-2-fluoro,4-chloro-2-fluorobenzoicacid,4-chloro-2-fluoro-benzoic acid,pubchem1374,acmc-209jz4,ksc237m4j,rarechem al bo 0755,4-chloro-2-fluoro benzoic acid,timtec-bb sbb003797 |
| IUPAC Name | 4-chloro-2-fluorobenzoic acid |
| InChI Key | ZLPXBWMVZANJJQ-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO2 |
| PubChem CID | 23134177 |
|---|---|
| CAS | 851335-07-4 |
| MDL Number | MFCD08458473 |
| Color | White |
| Physical Form | Crystalline Powder |
| Synonym | 4-Carboxy-2-fluorobenzeneboronic Acid |
| TSCA | No |
| InChI Key | TVNVDRMGOOLVOX-UHFFFAOYSA-N |
| Molecular Formula | C7H6BFO4 |
| Formula Weight | 183.93 |
2,4,6-Trifluorobenzoic Acid 98.0+%, TCI America™
CAS: 28314-80-9 Molecular Formula: C7H3F3O2 Molecular Weight (g/mol): 176.094 MDL Number: MFCD00042398 InChI Key: SJZATRRXUILGHH-UHFFFAOYSA-N Synonym: benzoic acid, 2,4,6-trifluoro,2,4,6-trifluorobenzoicacid,the derivatives,2,4,6-trifluorobenzioc acid,pubchem1347,acmc-209h1r,ksc204g9t,2,4,6-trifluoro-benzoic acid,rarechem al bo 0448,benzoicacid, 2,4,6-trifluoro PubChem CID: 520373 IUPAC Name: 2,4,6-trifluorobenzoic acid SMILES: C1=C(C=C(C(=C1F)C(=O)O)F)F
| PubChem CID | 520373 |
|---|---|
| CAS | 28314-80-9 |
| Molecular Weight (g/mol) | 176.094 |
| MDL Number | MFCD00042398 |
| SMILES | C1=C(C=C(C(=C1F)C(=O)O)F)F |
| Synonym | benzoic acid, 2,4,6-trifluoro,2,4,6-trifluorobenzoicacid,the derivatives,2,4,6-trifluorobenzioc acid,pubchem1347,acmc-209h1r,ksc204g9t,2,4,6-trifluoro-benzoic acid,rarechem al bo 0448,benzoicacid, 2,4,6-trifluoro |
| IUPAC Name | 2,4,6-trifluorobenzoic acid |
| InChI Key | SJZATRRXUILGHH-UHFFFAOYSA-N |
| Molecular Formula | C7H3F3O2 |
Methyl 4-Chloro-3-methylbenzoate 98.0+%, TCI America™
CAS: 91367-05-4 Molecular Formula: C9H9ClO2 Molecular Weight (g/mol): 184.619 MDL Number: MFCD00151838 InChI Key: QOTGNXMPQNGYDM-UHFFFAOYSA-N Synonym: 4-chloro-3-methylbenzoic acid methyl ester,benzoic acid, 4-chloro-3-methyl-, methyl ester,pubchem3710,acmc-209r8w,2-chloro-5-methoxycarbonyl toluene,methyl 4-chloranyl-3-methyl-benzoate,4-chloro-m-toluic acid methyl ester,4-chloro-3-methylbenzoic acid, methyl ester PubChem CID: 7015786 IUPAC Name: methyl 4-chloro-3-methylbenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)Cl
| PubChem CID | 7015786 |
|---|---|
| CAS | 91367-05-4 |
| Molecular Weight (g/mol) | 184.619 |
| MDL Number | MFCD00151838 |
| SMILES | CC1=C(C=CC(=C1)C(=O)OC)Cl |
| Synonym | 4-chloro-3-methylbenzoic acid methyl ester,benzoic acid, 4-chloro-3-methyl-, methyl ester,pubchem3710,acmc-209r8w,2-chloro-5-methoxycarbonyl toluene,methyl 4-chloranyl-3-methyl-benzoate,4-chloro-m-toluic acid methyl ester,4-chloro-3-methylbenzoic acid, methyl ester |
| IUPAC Name | methyl 4-chloro-3-methylbenzoate |
| InChI Key | QOTGNXMPQNGYDM-UHFFFAOYSA-N |
| Molecular Formula | C9H9ClO2 |