Benzene and substituted derivatives
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Methyl 2-Chlorobenzoate 98.0+%, TCI America™
CAS: 610-96-8 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00016337 InChI Key: JAVRNIFMYIJXIE-UHFFFAOYSA-N Synonym: methyl o-chlorobenzoate,methyl-2-chlorobenzoate,benzoic acid, 2-chloro-, methyl ester,2-chlorobenzoic acid methyl ester,unii-g344nes07r,benzoic acid, o-chloro-, methyl ester,benzoicacid, 2-chloro-, methyl ester,pubchem3707,methyl-o-chlorobenzoate,acmc-209moz PubChem CID: 11895 IUPAC Name: methyl 2-chlorobenzoate SMILES: COC(=O)C1=CC=CC=C1Cl
| PubChem CID | 11895 |
|---|---|
| CAS | 610-96-8 |
| Molecular Weight (g/mol) | 170.59 |
| MDL Number | MFCD00016337 |
| SMILES | COC(=O)C1=CC=CC=C1Cl |
| Synonym | methyl o-chlorobenzoate,methyl-2-chlorobenzoate,benzoic acid, 2-chloro-, methyl ester,2-chlorobenzoic acid methyl ester,unii-g344nes07r,benzoic acid, o-chloro-, methyl ester,benzoicacid, 2-chloro-, methyl ester,pubchem3707,methyl-o-chlorobenzoate,acmc-209moz |
| IUPAC Name | methyl 2-chlorobenzoate |
| InChI Key | JAVRNIFMYIJXIE-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |
Methyl 2,4-Dichlorobenzoate 98.0+%, TCI America™
CAS: 35112-28-8 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.034 MDL Number: MFCD00085117 InChI Key: VCRWILYAWSRHBN-UHFFFAOYSA-N Synonym: methyl2,4-dichlorobenzoate,2,4-dichlorobenzoic acid methyl ester,benzoic acid, 2,4-dichloro-, methyl ester,methyl-2,4-dichlorobenzoate,pubchem3713,methyl ester of 2,4-dichlorobenzoic acid,acmc-209id8,ksc497m5b,methyl 2,4-dichloro benzoate PubChem CID: 37055 IUPAC Name: methyl 2,4-dichlorobenzoate SMILES: COC(=O)C1=C(C=C(C=C1)Cl)Cl
| PubChem CID | 37055 |
|---|---|
| CAS | 35112-28-8 |
| Molecular Weight (g/mol) | 205.034 |
| MDL Number | MFCD00085117 |
| SMILES | COC(=O)C1=C(C=C(C=C1)Cl)Cl |
| Synonym | methyl2,4-dichlorobenzoate,2,4-dichlorobenzoic acid methyl ester,benzoic acid, 2,4-dichloro-, methyl ester,methyl-2,4-dichlorobenzoate,pubchem3713,methyl ester of 2,4-dichlorobenzoic acid,acmc-209id8,ksc497m5b,methyl 2,4-dichloro benzoate |
| IUPAC Name | methyl 2,4-dichlorobenzoate |
| InChI Key | VCRWILYAWSRHBN-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O2 |
3-Bromobenzoic Acid 98.0+%, TCI America™
CAS: 585-76-2 Molecular Formula: C7H5BrO2 Molecular Weight (g/mol): 201.019 MDL Number: MFCD00002487 InChI Key: VOIZNVUXCQLQHS-UHFFFAOYSA-N Synonym: m-bromobenzoic acid,3-brombenzoic acid,benzoic acid, 3-bromo,3-bromo-benzoic acid,benzoic acid, m-bromo,unii-7dct3a73lx,7dct3a73lx,3-bromo benzene acid,3-bromobenzoicacid,4-fluorobenzoicacid PubChem CID: 11456 IUPAC Name: 3-bromobenzoic acid SMILES: C1=CC(=CC(=C1)Br)C(=O)O
| PubChem CID | 11456 |
|---|---|
| CAS | 585-76-2 |
| Molecular Weight (g/mol) | 201.019 |
| MDL Number | MFCD00002487 |
| SMILES | C1=CC(=CC(=C1)Br)C(=O)O |
| Synonym | m-bromobenzoic acid,3-brombenzoic acid,benzoic acid, 3-bromo,3-bromo-benzoic acid,benzoic acid, m-bromo,unii-7dct3a73lx,7dct3a73lx,3-bromo benzene acid,3-bromobenzoicacid,4-fluorobenzoicacid |
| IUPAC Name | 3-bromobenzoic acid |
| InChI Key | VOIZNVUXCQLQHS-UHFFFAOYSA-N |
| Molecular Formula | C7H5BrO2 |
Methyl 4-Bromo-3-methylbenzoate 97.0+%, TCI America™
CAS: 148547-19-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD00673014 InChI Key: GTZTYNPAPQKIIR-UHFFFAOYSA-N Synonym: 4-bromo-3-methylbenzoic acid methyl ester,methyl4-bromo-3-methylbenzoate,methyl 4-bromo-m-toluate,4-bromo-3-methyl-benzoic acid methyl ester,methyl 4-bromo-3-methyl-benzoate,4-bromo-m-toluic acid methyl ester,benzoic acid, 4-bromo-3-methyl-, methyl ester,2-bromo-5-methoxycarbonyl toluene,3-methyl-4-bromobenzoic acid methyl ester,pubchem3970 PubChem CID: 3294148 IUPAC Name: methyl 4-bromo-3-methylbenzoate SMILES: CC1=C(C=CC(=C1)C(=O)OC)Br
| PubChem CID | 3294148 |
|---|---|
| CAS | 148547-19-7 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD00673014 |
| SMILES | CC1=C(C=CC(=C1)C(=O)OC)Br |
| Synonym | 4-bromo-3-methylbenzoic acid methyl ester,methyl4-bromo-3-methylbenzoate,methyl 4-bromo-m-toluate,4-bromo-3-methyl-benzoic acid methyl ester,methyl 4-bromo-3-methyl-benzoate,4-bromo-m-toluic acid methyl ester,benzoic acid, 4-bromo-3-methyl-, methyl ester,2-bromo-5-methoxycarbonyl toluene,3-methyl-4-bromobenzoic acid methyl ester,pubchem3970 |
| IUPAC Name | methyl 4-bromo-3-methylbenzoate |
| InChI Key | GTZTYNPAPQKIIR-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
3-Phenylsalicylic Acid 98.0+%, TCI America™
CAS: 304-06-3 Molecular Formula: C13H10O3 Molecular Weight (g/mol): 214.22 MDL Number: MFCD00020257 InChI Key: ZJWUEJOPKFYFQD-UHFFFAOYSA-N Synonym: 2-Hydroxybiphenyl-3-carboxylic Acid PubChem CID: 9348 IUPAC Name: 2-hydroxy-3-phenylbenzoic acid SMILES: C1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)O)O
| PubChem CID | 9348 |
|---|---|
| CAS | 304-06-3 |
| Molecular Weight (g/mol) | 214.22 |
| MDL Number | MFCD00020257 |
| SMILES | C1=CC=C(C=C1)C2=C(C(=CC=C2)C(=O)O)O |
| Synonym | 2-Hydroxybiphenyl-3-carboxylic Acid |
| IUPAC Name | 2-hydroxy-3-phenylbenzoic acid |
| InChI Key | ZJWUEJOPKFYFQD-UHFFFAOYSA-N |
| Molecular Formula | C13H10O3 |
3-Chloro-2-fluorobenzoic Acid 97.0+%, TCI America™
CAS: 161957-55-7 Molecular Formula: C7H4ClFO2 Molecular Weight (g/mol): 174.555 MDL Number: MFCD00042506 InChI Key: FCSSYEWURMTUSM-UHFFFAOYSA-N Synonym: 2-fluoro-3-chlorobenzoic acid,3-chloro-2-fluoro benzoic acid,3-chloro-2-fluoro-benzoic acid,3-chloro-2-fluorobenzoicacid,3-chloro-2-fluorbenzoic acid,pubchem1332,acmc-209dnj,intermediates-zcf02219,benzoic acid, chlorofluoro,ksc112c3l PubChem CID: 302931 IUPAC Name: 3-chloro-2-fluorobenzoic acid SMILES: C1=CC(=C(C(=C1)Cl)F)C(=O)O
| PubChem CID | 302931 |
|---|---|
| CAS | 161957-55-7 |
| Molecular Weight (g/mol) | 174.555 |
| MDL Number | MFCD00042506 |
| SMILES | C1=CC(=C(C(=C1)Cl)F)C(=O)O |
| Synonym | 2-fluoro-3-chlorobenzoic acid,3-chloro-2-fluoro benzoic acid,3-chloro-2-fluoro-benzoic acid,3-chloro-2-fluorobenzoicacid,3-chloro-2-fluorbenzoic acid,pubchem1332,acmc-209dnj,intermediates-zcf02219,benzoic acid, chlorofluoro,ksc112c3l |
| IUPAC Name | 3-chloro-2-fluorobenzoic acid |
| InChI Key | FCSSYEWURMTUSM-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO2 |
4-Bromophthalic Acid 98.0+%, TCI America™
CAS: 6968-28-1 Molecular Formula: C8H5BrO4 Molecular Weight (g/mol): 245.028 MDL Number: MFCD00043538 InChI Key: AZXKGUVDIORSED-UHFFFAOYSA-N Synonym: 4-bromophthalicacid,4-bromobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-bromo,zlchem 539,5-bromo-phthalic acid,acmc-209oah,#,4-bromo-1,2-benzenedicarboxylic acid,1,2-benzenedicarboxylicacid, 4-bromo,4-bromobenzene-1,2-dioic acid PubChem CID: 81428 IUPAC Name: 4-bromophthalic acid SMILES: C1=CC(=C(C=C1Br)C(=O)O)C(=O)O
| PubChem CID | 81428 |
|---|---|
| CAS | 6968-28-1 |
| Molecular Weight (g/mol) | 245.028 |
| MDL Number | MFCD00043538 |
| SMILES | C1=CC(=C(C=C1Br)C(=O)O)C(=O)O |
| Synonym | 4-bromophthalicacid,4-bromobenzene-1,2-dicarboxylic acid,1,2-benzenedicarboxylic acid, 4-bromo,zlchem 539,5-bromo-phthalic acid,acmc-209oah,#,4-bromo-1,2-benzenedicarboxylic acid,1,2-benzenedicarboxylicacid, 4-bromo,4-bromobenzene-1,2-dioic acid |
| IUPAC Name | 4-bromophthalic acid |
| InChI Key | AZXKGUVDIORSED-UHFFFAOYSA-N |
| Molecular Formula | C8H5BrO4 |
Methyl 5-Bromo-2-iodobenzoate 95.0+%, TCI America™
CAS: 181765-86-6 Molecular Formula: C8H6BrIO2 Molecular Weight (g/mol): 340.94 MDL Number: MFCD00144771 InChI Key: CJRHLSZJEFJDLA-UHFFFAOYSA-N Synonym: 5-Bromo-2-iodobenzoic Acid Methyl Ester PubChem CID: 11078356 IUPAC Name: methyl 5-bromo-2-iodobenzoate SMILES: COC(=O)C1=C(I)C=CC(Br)=C1
| PubChem CID | 11078356 |
|---|---|
| CAS | 181765-86-6 |
| Molecular Weight (g/mol) | 340.94 |
| MDL Number | MFCD00144771 |
| SMILES | COC(=O)C1=C(I)C=CC(Br)=C1 |
| Synonym | 5-Bromo-2-iodobenzoic Acid Methyl Ester |
| IUPAC Name | methyl 5-bromo-2-iodobenzoate |
| InChI Key | CJRHLSZJEFJDLA-UHFFFAOYSA-N |
| Molecular Formula | C8H6BrIO2 |
3,4-Dichlorobenzoyl Chloride 98.0+%, TCI America™
CAS: 3024-72-4 Molecular Formula: C7H3Cl3O Molecular Weight (g/mol): 209.45 MDL Number: MFCD00000672 InChI Key: VTXNOVCTHUBABW-UHFFFAOYSA-N Synonym: benzoyl chloride, 3,4-dichloro,3,4-dichlorobenzoylchloride,3,4-dichloro benzoyl chloride,2,3-dichlorobenzoyl,3,4dichlorobenzoyl chloride,acmc-1aj45,3,4 dichlorobenzoyl chloride,3,4-dichlorobenzoyl-chloride,ksc225o5d,3,4-dichloro-benzoyl chloride PubChem CID: 76403 IUPAC Name: 3,4-dichlorobenzoyl chloride SMILES: C1=CC(=C(C=C1C(=O)Cl)Cl)Cl
| PubChem CID | 76403 |
|---|---|
| CAS | 3024-72-4 |
| Molecular Weight (g/mol) | 209.45 |
| MDL Number | MFCD00000672 |
| SMILES | C1=CC(=C(C=C1C(=O)Cl)Cl)Cl |
| Synonym | benzoyl chloride, 3,4-dichloro,3,4-dichlorobenzoylchloride,3,4-dichloro benzoyl chloride,2,3-dichlorobenzoyl,3,4dichlorobenzoyl chloride,acmc-1aj45,3,4 dichlorobenzoyl chloride,3,4-dichlorobenzoyl-chloride,ksc225o5d,3,4-dichloro-benzoyl chloride |
| IUPAC Name | 3,4-dichlorobenzoyl chloride |
| InChI Key | VTXNOVCTHUBABW-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl3O |
2-Fluoro-5-methylbenzoic Acid 98.0+%, TCI America™
CAS: 321-12-0 Molecular Formula: C8H7FO2 Molecular Weight (g/mol): 154.14 MDL Number: MFCD00092819 InChI Key: UREMNBHWTNQTMS-UHFFFAOYSA-N Synonym: 2-fluoro-5-methylbenzoicacid,2-fluoro-5-methyl-benzoic acid,6-fluoro-m-toluic acid,2-fluoro-5-methyl benzoic acid,benzoicacid, 2-fluoro-5-methyl,pubchem4750,acmc-1afrc,ksc225s6b,rarechem al bo 1354 PubChem CID: 242829 IUPAC Name: 2-fluoro-5-methylbenzoic acid SMILES: CC1=CC=C(F)C(=C1)C(O)=O
| PubChem CID | 242829 |
|---|---|
| CAS | 321-12-0 |
| Molecular Weight (g/mol) | 154.14 |
| MDL Number | MFCD00092819 |
| SMILES | CC1=CC=C(F)C(=C1)C(O)=O |
| Synonym | 2-fluoro-5-methylbenzoicacid,2-fluoro-5-methyl-benzoic acid,6-fluoro-m-toluic acid,2-fluoro-5-methyl benzoic acid,benzoicacid, 2-fluoro-5-methyl,pubchem4750,acmc-1afrc,ksc225s6b,rarechem al bo 1354 |
| IUPAC Name | 2-fluoro-5-methylbenzoic acid |
| InChI Key | UREMNBHWTNQTMS-UHFFFAOYSA-N |
| Molecular Formula | C8H7FO2 |
Methyl 2-Bromo-3-methylbenzoate 98.0+%, TCI America™
CAS: 131001-86-0 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00144762 InChI Key: QAOFGUXVDAZKBW-UHFFFAOYSA-N Synonym: 2-bromo-3-methyl-benzoic acid methyl ester,methyl2-bromo-3-methylbenzoate,benzoic acid, 2-bromo-3-methyl-, methyl ester,2-bromo-3-methylbenzoic acid methyl ester,methyl 2-bromo-3-methyl-benzoate,pubchem3966,acmc-1c3gk,methyl 2-bromo-m-toluate,intermediates-zcf02010,ksc495c9h PubChem CID: 10823279 IUPAC Name: methyl 2-bromo-3-methylbenzoate SMILES: COC(=O)C1=C(Br)C(C)=CC=C1
| PubChem CID | 10823279 |
|---|---|
| CAS | 131001-86-0 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00144762 |
| SMILES | COC(=O)C1=C(Br)C(C)=CC=C1 |
| Synonym | 2-bromo-3-methyl-benzoic acid methyl ester,methyl2-bromo-3-methylbenzoate,benzoic acid, 2-bromo-3-methyl-, methyl ester,2-bromo-3-methylbenzoic acid methyl ester,methyl 2-bromo-3-methyl-benzoate,pubchem3966,acmc-1c3gk,methyl 2-bromo-m-toluate,intermediates-zcf02010,ksc495c9h |
| IUPAC Name | methyl 2-bromo-3-methylbenzoate |
| InChI Key | QAOFGUXVDAZKBW-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
2'-Methyl-3'-nitroacetanilide 98.0+%, TCI America™
CAS: 56207-36-4 Molecular Formula: C9H10N2O3 Molecular Weight (g/mol): 194.19 MDL Number: MFCD01047363 InChI Key: NMYFXIITWKKOKY-UHFFFAOYSA-N PubChem CID: 151316 IUPAC Name: N-(2-methyl-3-nitrophenyl)acetamide SMILES: CC(=O)NC1=CC=CC(=C1C)[N+]([O-])=O
| PubChem CID | 151316 |
|---|---|
| CAS | 56207-36-4 |
| Molecular Weight (g/mol) | 194.19 |
| MDL Number | MFCD01047363 |
| SMILES | CC(=O)NC1=CC=CC(=C1C)[N+]([O-])=O |
| IUPAC Name | N-(2-methyl-3-nitrophenyl)acetamide |
| InChI Key | NMYFXIITWKKOKY-UHFFFAOYSA-N |
| Molecular Formula | C9H10N2O3 |
3'-Hydroxyacetanilide 98.0+%, TCI America™
CAS: 621-42-1 Molecular Formula: C8H9NO2 Molecular Weight (g/mol): 151.165 MDL Number: MFCD00002263 InChI Key: QLNWXBAGRTUKKI-UHFFFAOYSA-N Synonym: 3-acetamidophenol,n-3-hydroxyphenyl acetamide,metacetamol,3'-hydroxyacetanilide,m-acetamidophenol,3-hydroxyacetanilide,n-acetyl-m-aminophenol,m-hydroxyacetanilide,3-acetylamino phenol,metalid PubChem CID: 12124 ChEBI: CHEBI:76987 IUPAC Name: N-(3-hydroxyphenyl)acetamide SMILES: CC(=O)NC1=CC(=CC=C1)O
| PubChem CID | 12124 |
|---|---|
| CAS | 621-42-1 |
| Molecular Weight (g/mol) | 151.165 |
| ChEBI | CHEBI:76987 |
| MDL Number | MFCD00002263 |
| SMILES | CC(=O)NC1=CC(=CC=C1)O |
| Synonym | 3-acetamidophenol,n-3-hydroxyphenyl acetamide,metacetamol,3'-hydroxyacetanilide,m-acetamidophenol,3-hydroxyacetanilide,n-acetyl-m-aminophenol,m-hydroxyacetanilide,3-acetylamino phenol,metalid |
| IUPAC Name | N-(3-hydroxyphenyl)acetamide |
| InChI Key | QLNWXBAGRTUKKI-UHFFFAOYSA-N |
| Molecular Formula | C8H9NO2 |