Benzene and substituted derivatives
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Methyl 3,4-dichlorobenzoate, 97%, Thermo Scientific Chemicals
CAS: 2905-68-2 Molecular Formula: C8H6Cl2O2 Molecular Weight (g/mol): 205.03 MDL Number: MFCD00018165 InChI Key: WICGATIORFSOJL-UHFFFAOYSA-N PubChem CID: 76193 IUPAC Name: methyl 3,4-dichlorobenzoate SMILES: COC(=O)C1=CC=C(Cl)C(Cl)=C1
| PubChem CID | 76193 |
|---|---|
| CAS | 2905-68-2 |
| Molecular Weight (g/mol) | 205.03 |
| MDL Number | MFCD00018165 |
| SMILES | COC(=O)C1=CC=C(Cl)C(Cl)=C1 |
| IUPAC Name | methyl 3,4-dichlorobenzoate |
| InChI Key | WICGATIORFSOJL-UHFFFAOYSA-N |
| Molecular Formula | C8H6Cl2O2 |
4-Bromo-2,3,5,6-tetrafluorobenzoic acid, 97+%
CAS: 4707-24-8 Molecular Formula: C7HBrF4O2 Molecular Weight (g/mol): 272.981 MDL Number: MFCD00075244 InChI Key: MTZLICDXLGQWJV-UHFFFAOYSA-N Synonym: 4-bromo-2,3,5,6-tetrafluoro-benzoic acid,acmc-1arsf,4-bromotetrafluorobenzoic acid,4-bromotetrafluorobenzene carboxylic acid,benzoicacid, 4-bromo-2,3,5,6-tetrafluoro,benzoic acid, 4-bromo-2,3,5,6-tetrafluoro,4-bromo-2,3,5,6-tetrafluorobenzoic acid,4-bromanyl-2,3,5,6-tetrakis fluoranyl benzoic acid PubChem CID: 298173 IUPAC Name: 4-bromo-2,3,5,6-tetrafluorobenzoic acid SMILES: C1(=C(C(=C(C(=C1F)F)Br)F)F)C(=O)O
| PubChem CID | 298173 |
|---|---|
| CAS | 4707-24-8 |
| Molecular Weight (g/mol) | 272.981 |
| MDL Number | MFCD00075244 |
| SMILES | C1(=C(C(=C(C(=C1F)F)Br)F)F)C(=O)O |
| Synonym | 4-bromo-2,3,5,6-tetrafluoro-benzoic acid,acmc-1arsf,4-bromotetrafluorobenzoic acid,4-bromotetrafluorobenzene carboxylic acid,benzoicacid, 4-bromo-2,3,5,6-tetrafluoro,benzoic acid, 4-bromo-2,3,5,6-tetrafluoro,4-bromo-2,3,5,6-tetrafluorobenzoic acid,4-bromanyl-2,3,5,6-tetrakis fluoranyl benzoic acid |
| IUPAC Name | 4-bromo-2,3,5,6-tetrafluorobenzoic acid |
| InChI Key | MTZLICDXLGQWJV-UHFFFAOYSA-N |
| Molecular Formula | C7HBrF4O2 |
Methyl 5-bromo-2-methylbenzoate, 98%
CAS: 79669-50-4 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.073 MDL Number: MFCD09839555 InChI Key: FDCYLMYCHALQJR-UHFFFAOYSA-N Synonym: methyl 5-bromo-2-methyl-benzoate,methyl 5-bromo-o-toluate,methyl5-bromo-2-methylbenzoate,5-bromo-2-methyl-benzoic acid methyl ester,benzoic acid, 5-bromo-2-methyl-, methyl ester,5-bromo-2-methylbenzoic acid methyl ester,5-bromo-2-methylbenzoicacid,methyl 4-bromo-toluate,pubchem10936,acmc-1bhme PubChem CID: 316201 IUPAC Name: methyl 5-bromo-2-methylbenzoate SMILES: CC1=C(C=C(C=C1)Br)C(=O)OC
| PubChem CID | 316201 |
|---|---|
| CAS | 79669-50-4 |
| Molecular Weight (g/mol) | 229.073 |
| MDL Number | MFCD09839555 |
| SMILES | CC1=C(C=C(C=C1)Br)C(=O)OC |
| Synonym | methyl 5-bromo-2-methyl-benzoate,methyl 5-bromo-o-toluate,methyl5-bromo-2-methylbenzoate,5-bromo-2-methyl-benzoic acid methyl ester,benzoic acid, 5-bromo-2-methyl-, methyl ester,5-bromo-2-methylbenzoic acid methyl ester,5-bromo-2-methylbenzoicacid,methyl 4-bromo-toluate,pubchem10936,acmc-1bhme |
| IUPAC Name | methyl 5-bromo-2-methylbenzoate |
| InChI Key | FDCYLMYCHALQJR-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
4-Fluorobenzoyl chloride, 98%
CAS: 403-43-0 Molecular Formula: C7H4ClFO Molecular Weight (g/mol): 158.56 MDL Number: MFCD00000684 InChI Key: CZKLEJHVLCMVQR-UHFFFAOYSA-N Synonym: benzoyl chloride, 4-fluoro,p-fluorobenzoyl chloride,benzoyl chloride, p-fluoro,p-fluorobenzoic acid chloride,4-fluorobenzoylchloride,fluorobenzoyl 4-chloride,4-fluorobenzoic acid chloride,p-fluorobenzoylchloride,p-fluorobenzoyl choride,4-flurobenzoyl chloride PubChem CID: 67879 IUPAC Name: 4-fluorobenzoyl chloride SMILES: C1=CC(=CC=C1C(=O)Cl)F
| PubChem CID | 67879 |
|---|---|
| CAS | 403-43-0 |
| Molecular Weight (g/mol) | 158.56 |
| MDL Number | MFCD00000684 |
| SMILES | C1=CC(=CC=C1C(=O)Cl)F |
| Synonym | benzoyl chloride, 4-fluoro,p-fluorobenzoyl chloride,benzoyl chloride, p-fluoro,p-fluorobenzoic acid chloride,4-fluorobenzoylchloride,fluorobenzoyl 4-chloride,4-fluorobenzoic acid chloride,p-fluorobenzoylchloride,p-fluorobenzoyl choride,4-flurobenzoyl chloride |
| IUPAC Name | 4-fluorobenzoyl chloride |
| InChI Key | CZKLEJHVLCMVQR-UHFFFAOYSA-N |
| Molecular Formula | C7H4ClFO |
3,5-Difluorosalicylic acid, 98+%, Thermo Scientific Chemicals
CAS: 84376-20-5 Molecular Formula: C7H4F2O3 Molecular Weight (g/mol): 174.103 MDL Number: MFCD06203609 InChI Key: GZPCNALAXFNOBT-UHFFFAOYSA-N Synonym: 3,5-difluorosalicylic acid,3,5-difluoro-salicylic acid,benzoic acid, 3,5-difluoro-2-hydroxy PubChem CID: 10888405 IUPAC Name: 3,5-difluoro-2-hydroxybenzoic acid SMILES: C1=C(C=C(C(=C1F)O)C(=O)O)F
| PubChem CID | 10888405 |
|---|---|
| CAS | 84376-20-5 |
| Molecular Weight (g/mol) | 174.103 |
| MDL Number | MFCD06203609 |
| SMILES | C1=C(C=C(C(=C1F)O)C(=O)O)F |
| Synonym | 3,5-difluorosalicylic acid,3,5-difluoro-salicylic acid,benzoic acid, 3,5-difluoro-2-hydroxy |
| IUPAC Name | 3,5-difluoro-2-hydroxybenzoic acid |
| InChI Key | GZPCNALAXFNOBT-UHFFFAOYSA-N |
| Molecular Formula | C7H4F2O3 |
2-Bromo-6-chlorobenzoic acid, 98%
CAS: 93224-85-2 Molecular Formula: C7H4BrClO2 Molecular Weight (g/mol): 235.461 MDL Number: MFCD00672929 InChI Key: URGXUQODOUMRFP-UHFFFAOYSA-N Synonym: 6-bromo-2-chlorobenzoic acid,2-chloro-6-bromobenzoic acid,benzoic acid, 2-bromo-6-chloro,2-bromo-6-chloro-benzoic acid,buttpark 51\01-28,akos msc-0781,2-bromo-6-chlorobenzoicacid,pubchem4048,acmc-209rkm,2-chloro-6-bromobenzoic PubChem CID: 33125 IUPAC Name: 2-bromo-6-chlorobenzoic acid SMILES: C1=CC(=C(C(=C1)Br)C(=O)O)Cl
| PubChem CID | 33125 |
|---|---|
| CAS | 93224-85-2 |
| Molecular Weight (g/mol) | 235.461 |
| MDL Number | MFCD00672929 |
| SMILES | C1=CC(=C(C(=C1)Br)C(=O)O)Cl |
| Synonym | 6-bromo-2-chlorobenzoic acid,2-chloro-6-bromobenzoic acid,benzoic acid, 2-bromo-6-chloro,2-bromo-6-chloro-benzoic acid,buttpark 51\01-28,akos msc-0781,2-bromo-6-chlorobenzoicacid,pubchem4048,acmc-209rkm,2-chloro-6-bromobenzoic |
| IUPAC Name | 2-bromo-6-chlorobenzoic acid |
| InChI Key | URGXUQODOUMRFP-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO2 |
4-Bromobenzoyl chloride, 98+%
CAS: 586-75-4 Molecular Formula: C7H4BrClO Molecular Weight (g/mol): 219.46 MDL Number: MFCD00000683 InChI Key: DENKGPBHLYFNGK-UHFFFAOYSA-N Synonym: p-bromobenzoyl chloride,benzoyl chloride, 4-bromo,benzoyl chloride, p-bromo,4-bromobenzoylchloride,p-bromobenzoyl chloride, p-bromo,4-bromobenzoic acid chloride,p-brombenzoylchlorid,4bromobenzoyl chloride,p-brc6h4cocl,4-bromo-benzoylchloride PubChem CID: 68515 IUPAC Name: 4-bromobenzoyl chloride SMILES: ClC(=O)C1=CC=C(Br)C=C1
| PubChem CID | 68515 |
|---|---|
| CAS | 586-75-4 |
| Molecular Weight (g/mol) | 219.46 |
| MDL Number | MFCD00000683 |
| SMILES | ClC(=O)C1=CC=C(Br)C=C1 |
| Synonym | p-bromobenzoyl chloride,benzoyl chloride, 4-bromo,benzoyl chloride, p-bromo,4-bromobenzoylchloride,p-bromobenzoyl chloride, p-bromo,4-bromobenzoic acid chloride,p-brombenzoylchlorid,4bromobenzoyl chloride,p-brc6h4cocl,4-bromo-benzoylchloride |
| IUPAC Name | 4-bromobenzoyl chloride |
| InChI Key | DENKGPBHLYFNGK-UHFFFAOYSA-N |
| Molecular Formula | C7H4BrClO |
Magnesium salicylate tetrahydrate, tech.
CAS: 18917-95-8 Molecular Formula: C14H18MgO10 Molecular Weight (g/mol): 370.59 MDL Number: MFCD01766176,MFCD00045815 InChI Key: NBQBEWAYWAMLJJ-UHFFFAOYSA-L Synonym: magnesium salicylate PubChem CID: 131674114 IUPAC Name: magnesium;2-hydroxybenzoic acid;2-oxidobenzoate;hydrate SMILES: O.O.O.O.[Mg++].OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O
| PubChem CID | 131674114 |
|---|---|
| CAS | 18917-95-8 |
| Molecular Weight (g/mol) | 370.59 |
| MDL Number | MFCD01766176,MFCD00045815 |
| SMILES | O.O.O.O.[Mg++].OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O |
| Synonym | magnesium salicylate |
| IUPAC Name | magnesium;2-hydroxybenzoic acid;2-oxidobenzoate;hydrate |
| InChI Key | NBQBEWAYWAMLJJ-UHFFFAOYSA-L |
| Molecular Formula | C14H18MgO10 |
Methyl 3-chlorobenzoate, 98%
CAS: 2905-65-9 Molecular Formula: C8H7ClO2 Molecular Weight (g/mol): 170.59 MDL Number: MFCD00000592 InChI Key: XRDRKVPNHIWTBX-UHFFFAOYSA-N Synonym: methyl m-chlorobenzoate,benzoic acid, 3-chloro-, methyl ester,m-chlorobenzoic acid methyl ester,methyl-3-chlorobenzoate,benzoic acid, m-chloro-, methyl ester,3-chlorobenzoic acid methyl ester,3-chloro-benzoic acid methyl ester,acmc-1cegg,dsstox_cid_7507,3-chlorobenzoic acid methyl PubChem CID: 17946 IUPAC Name: methyl 3-chlorobenzoate SMILES: COC(=O)C1=CC=CC(Cl)=C1
| PubChem CID | 17946 |
|---|---|
| CAS | 2905-65-9 |
| Molecular Weight (g/mol) | 170.59 |
| MDL Number | MFCD00000592 |
| SMILES | COC(=O)C1=CC=CC(Cl)=C1 |
| Synonym | methyl m-chlorobenzoate,benzoic acid, 3-chloro-, methyl ester,m-chlorobenzoic acid methyl ester,methyl-3-chlorobenzoate,benzoic acid, m-chloro-, methyl ester,3-chlorobenzoic acid methyl ester,3-chloro-benzoic acid methyl ester,acmc-1cegg,dsstox_cid_7507,3-chlorobenzoic acid methyl |
| IUPAC Name | methyl 3-chlorobenzoate |
| InChI Key | XRDRKVPNHIWTBX-UHFFFAOYSA-N |
| Molecular Formula | C8H7ClO2 |
5-Iodosalicylic acid, 97%
CAS: 119-30-2 Molecular Formula: C7H5IO3 Molecular Weight (g/mol): 264.018 MDL Number: MFCD00002458 InChI Key: SWDNKOFGNPGRPI-UHFFFAOYSA-N Synonym: 5-iodosalicylic acid,benzoic acid, 2-hydroxy-5-iodo,salicylic acid, 5-iodo,5-iodo-2-hydroxybenzoic acid,2-hydroxy-5-iodo-benzoic acid,rarechem al be 0824,labotest-bb lt00454718,5-jod-salicylsaure,5-iodosalicylicacid,5-iodo-salicylicaci PubChem CID: 8388 IUPAC Name: 2-hydroxy-5-iodobenzoic acid SMILES: C1=CC(=C(C=C1I)C(=O)O)O
| PubChem CID | 8388 |
|---|---|
| CAS | 119-30-2 |
| Molecular Weight (g/mol) | 264.018 |
| MDL Number | MFCD00002458 |
| SMILES | C1=CC(=C(C=C1I)C(=O)O)O |
| Synonym | 5-iodosalicylic acid,benzoic acid, 2-hydroxy-5-iodo,salicylic acid, 5-iodo,5-iodo-2-hydroxybenzoic acid,2-hydroxy-5-iodo-benzoic acid,rarechem al be 0824,labotest-bb lt00454718,5-jod-salicylsaure,5-iodosalicylicacid,5-iodo-salicylicaci |
| IUPAC Name | 2-hydroxy-5-iodobenzoic acid |
| InChI Key | SWDNKOFGNPGRPI-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO3 |
4-Methylsalicylic acid, 99%
CAS: 50-85-1 Molecular Formula: C8H8O3 Molecular Weight (g/mol): 152.149 MDL Number: MFCD00002454 InChI Key: NJESAXZANHETJV-UHFFFAOYSA-N Synonym: 4-methylsalicylic acid,m-cresotic acid,2,4-cresotic acid,m-cresotinic acid,2-hydroxy-p-toluic acid,m-homosalicylic acid,4-methyl-2-hydroxybenzoic acid,gamma-cresotic acid,benzoic acid, 2-hydroxy-4-methyl,4-methylsalicylate PubChem CID: 5788 ChEBI: CHEBI:20450 IUPAC Name: 2-hydroxy-4-methylbenzoic acid SMILES: CC1=CC(=C(C=C1)C(=O)O)O
| PubChem CID | 5788 |
|---|---|
| CAS | 50-85-1 |
| Molecular Weight (g/mol) | 152.149 |
| ChEBI | CHEBI:20450 |
| MDL Number | MFCD00002454 |
| SMILES | CC1=CC(=C(C=C1)C(=O)O)O |
| Synonym | 4-methylsalicylic acid,m-cresotic acid,2,4-cresotic acid,m-cresotinic acid,2-hydroxy-p-toluic acid,m-homosalicylic acid,4-methyl-2-hydroxybenzoic acid,gamma-cresotic acid,benzoic acid, 2-hydroxy-4-methyl,4-methylsalicylate |
| IUPAC Name | 2-hydroxy-4-methylbenzoic acid |
| InChI Key | NJESAXZANHETJV-UHFFFAOYSA-N |
| Molecular Formula | C8H8O3 |
Methyl 4-bromobenzoate, 98+%
CAS: 619-42-1 Molecular Formula: C8H7BrO2 Molecular Weight (g/mol): 215.046 MDL Number: MFCD00013531 InChI Key: CZNGTXVOZOWWKM-UHFFFAOYSA-N Synonym: benzoic acid, 4-bromo-, methyl ester,methyl p-bromobenzoate,4-bromobenzoic acid methyl ester,p-bromobenzoic acid, methyl ester,unii-ub1ysj5xar,ub1ysj5xar,benzoic acid, p-bromo-, methyl ester,pubchem3962,methyl-4-bromobenzoate,methyl p-bromo benzoate PubChem CID: 12081 IUPAC Name: methyl 4-bromobenzoate SMILES: COC(=O)C1=CC=C(C=C1)Br
| PubChem CID | 12081 |
|---|---|
| CAS | 619-42-1 |
| Molecular Weight (g/mol) | 215.046 |
| MDL Number | MFCD00013531 |
| SMILES | COC(=O)C1=CC=C(C=C1)Br |
| Synonym | benzoic acid, 4-bromo-, methyl ester,methyl p-bromobenzoate,4-bromobenzoic acid methyl ester,p-bromobenzoic acid, methyl ester,unii-ub1ysj5xar,ub1ysj5xar,benzoic acid, p-bromo-, methyl ester,pubchem3962,methyl-4-bromobenzoate,methyl p-bromo benzoate |
| IUPAC Name | methyl 4-bromobenzoate |
| InChI Key | CZNGTXVOZOWWKM-UHFFFAOYSA-N |
| Molecular Formula | C8H7BrO2 |
2-Chloro-5-nitrobenzoyl chloride, 96%, Thermo Scientific Chemicals
CAS: 25784-91-2 Molecular Formula: C7H3Cl2NO3 Molecular Weight (g/mol): 220.005 MDL Number: MFCD00059180 InChI Key: OGLKKYALUKXVPQ-UHFFFAOYSA-N Synonym: 2-chloro-5-nitrobenzoylchloride,benzoyl chloride, 2-chloro-5-nitro,acmc-1cq6z,2-chloro-5nitrobenzoyl chloride,2-chloro-5-nitro-benzoylchlorid,2-chloro-5-nitro-benzoic chloride,2-chloro-5-nitro-benzoyl chloride,benzoyl chloride,2-chloro-5-nitro,2-chloranyl-5-nitro-benzoyl chloride,2-chloro-5-nitrobenzoic acid chloride PubChem CID: 117637 IUPAC Name: 2-chloro-5-nitrobenzoyl chloride SMILES: C1=CC(=C(C=C1[N+](=O)[O-])C(=O)Cl)Cl
| PubChem CID | 117637 |
|---|---|
| CAS | 25784-91-2 |
| Molecular Weight (g/mol) | 220.005 |
| MDL Number | MFCD00059180 |
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)Cl)Cl |
| Synonym | 2-chloro-5-nitrobenzoylchloride,benzoyl chloride, 2-chloro-5-nitro,acmc-1cq6z,2-chloro-5nitrobenzoyl chloride,2-chloro-5-nitro-benzoylchlorid,2-chloro-5-nitro-benzoic chloride,2-chloro-5-nitro-benzoyl chloride,benzoyl chloride,2-chloro-5-nitro,2-chloranyl-5-nitro-benzoyl chloride,2-chloro-5-nitrobenzoic acid chloride |
| IUPAC Name | 2-chloro-5-nitrobenzoyl chloride |
| InChI Key | OGLKKYALUKXVPQ-UHFFFAOYSA-N |
| Molecular Formula | C7H3Cl2NO3 |
Ethyl 4-iodobenzoate, 98%
CAS: 51934-41-9 Molecular Formula: C9H9IO2 Molecular Weight (g/mol): 276.07 MDL Number: MFCD00017344 InChI Key: YCBJOQUNPLTBGG-UHFFFAOYSA-N Synonym: p-iodobenzoic acid ethyl ester,4-iodobenzoic acid ethyl ester,ethyl p-iodobenzoate,ethyl-4-iodobenzoate,benzoicacid,4-iodo-,ethylester,4-iodo-benzoic acid ethyl ester,benzoic acid, 4-iodo-, ethyl ester,ethyl4-iodobenzoate,ethyl-4 iodobenzoate,ethyl,4-iodobenzoate PubChem CID: 142891 IUPAC Name: ethyl 4-iodobenzoate SMILES: CCOC(=O)C1=CC=C(I)C=C1
| PubChem CID | 142891 |
|---|---|
| CAS | 51934-41-9 |
| Molecular Weight (g/mol) | 276.07 |
| MDL Number | MFCD00017344 |
| SMILES | CCOC(=O)C1=CC=C(I)C=C1 |
| Synonym | p-iodobenzoic acid ethyl ester,4-iodobenzoic acid ethyl ester,ethyl p-iodobenzoate,ethyl-4-iodobenzoate,benzoicacid,4-iodo-,ethylester,4-iodo-benzoic acid ethyl ester,benzoic acid, 4-iodo-, ethyl ester,ethyl4-iodobenzoate,ethyl-4 iodobenzoate,ethyl,4-iodobenzoate |
| IUPAC Name | ethyl 4-iodobenzoate |
| InChI Key | YCBJOQUNPLTBGG-UHFFFAOYSA-N |
| Molecular Formula | C9H9IO2 |
3-Iodobenzoic acid, 98+%
CAS: 618-51-9 Molecular Formula: C7H5IO2 Molecular Weight (g/mol): 248.019 MDL Number: MFCD00002496 InChI Key: KVBWBCRPWVKFQT-UHFFFAOYSA-N Synonym: m-iodobenzoic acid,benzoic acid, 3-iodo,3-iodo-benzoic acid,benzoic acid, m-iodo,3-iodobenzoicacid,3-carboxyiodobenzene,3-iodo benzoic acid,pubchem3925,acmc-209mwv,meta-carboxy iodo-benzene PubChem CID: 12060 IUPAC Name: 3-iodobenzoic acid SMILES: C1=CC(=CC(=C1)I)C(=O)O
| PubChem CID | 12060 |
|---|---|
| CAS | 618-51-9 |
| Molecular Weight (g/mol) | 248.019 |
| MDL Number | MFCD00002496 |
| SMILES | C1=CC(=CC(=C1)I)C(=O)O |
| Synonym | m-iodobenzoic acid,benzoic acid, 3-iodo,3-iodo-benzoic acid,benzoic acid, m-iodo,3-iodobenzoicacid,3-carboxyiodobenzene,3-iodo benzoic acid,pubchem3925,acmc-209mwv,meta-carboxy iodo-benzene |
| IUPAC Name | 3-iodobenzoic acid |
| InChI Key | KVBWBCRPWVKFQT-UHFFFAOYSA-N |
| Molecular Formula | C7H5IO2 |