Organic acids and derivatives
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1-(4-Chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, 97%, Thermo Scientific™
CAS: 98534-80-6 Molecular Formula: C11H6ClF3N2O2 Molecular Weight (g/mol): 290.626 MDL Number: MFCD00068142 InChI Key: HSZJMDBOSZVDOK-UHFFFAOYSA-N Synonym: 1-4-chlorophenyl-5-trifluoromethyl-1h-pyrazole-4-carboxylic acid,2-4-chlorophenyl-3-trifluoromethyl pyrazole-4-carboxylic acid,1-4-chlorophenyl-5-trifluoromethyl pyrazole-4-carboxylic acid,2-4-chlorophenyl-3-trifluoromethyl-2h-pyrazole-4-carboxylic acid,maybridge1_004008,2-4-chlorophenyl-3-trifluoromethyl pyrazole-4,1-4-chlorophenyl-5-trifluoromethyl-4-pyrazolecarboxylic acid,1h-pyrazole-4-carboxylic acid, 1-4-chlorophenyl-5-trifluoromethyl PubChem CID: 688687 IUPAC Name: 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid SMILES: C1=CC(=CC=C1N2C(=C(C=N2)C(=O)O)C(F)(F)F)Cl
| PubChem CID | 688687 |
|---|---|
| CAS | 98534-80-6 |
| Molecular Weight (g/mol) | 290.626 |
| MDL Number | MFCD00068142 |
| SMILES | C1=CC(=CC=C1N2C(=C(C=N2)C(=O)O)C(F)(F)F)Cl |
| Synonym | 1-4-chlorophenyl-5-trifluoromethyl-1h-pyrazole-4-carboxylic acid,2-4-chlorophenyl-3-trifluoromethyl pyrazole-4-carboxylic acid,1-4-chlorophenyl-5-trifluoromethyl pyrazole-4-carboxylic acid,2-4-chlorophenyl-3-trifluoromethyl-2h-pyrazole-4-carboxylic acid,maybridge1_004008,2-4-chlorophenyl-3-trifluoromethyl pyrazole-4,1-4-chlorophenyl-5-trifluoromethyl-4-pyrazolecarboxylic acid,1h-pyrazole-4-carboxylic acid, 1-4-chlorophenyl-5-trifluoromethyl |
| IUPAC Name | 1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid |
| InChI Key | HSZJMDBOSZVDOK-UHFFFAOYSA-N |
| Molecular Formula | C11H6ClF3N2O2 |
LiChropur™ Butylboronic Acid, For GC Derivatization, 96.0% (T), MilliporeSigma™ Supelco™
CAS: 4426-47-5 Molecular Formula: C4H11BO2 Molecular Weight (g/mol): 101.94 MDL Number: MFCD00002106 InChI Key: QPKFVRWIISEVCW-UHFFFAOYSA-N Synonym: 1-Butaneboronic acid IUPAC Name: butylboronic acid SMILES: CCCCB(O)O
| CAS | 4426-47-5 |
|---|---|
| Molecular Weight (g/mol) | 101.94 |
| MDL Number | MFCD00002106 |
| SMILES | CCCCB(O)O |
| Synonym | 1-Butaneboronic acid |
| IUPAC Name | butylboronic acid |
| InChI Key | QPKFVRWIISEVCW-UHFFFAOYSA-N |
| Molecular Formula | C4H11BO2 |
Ethyl 2-chloro-2-(hydroxyimino)acetate, 97%
CAS: 14337-43-0 Molecular Formula: C4H6ClNO3 Molecular Weight (g/mol): 151.55 MDL Number: MFCD00010209 InChI Key: UXOLDCOJRAMLTQ-UTCJRWHESA-N Synonym: ethyl 2-chloro-2-hydroxyimino acetate,2-chloro-2-hydroxyiminoacetic acid ethyl ester,ethyl chlorooximinoacetate,ethyl chloro oximido acetate,ethyl chlorooximidoacetate,z-ethyl 2-chloro-2-hydroxyimino acetate,chloro oxime,ethyl 2z-2-chloro-2-hydroxyimino acetate,e-ethyl 2-chloro-2-hydroxyimino acetate,ethyl 2z-chloro hydroxyimino ethanoate PubChem CID: 9576005 IUPAC Name: ethyl (2Z)-2-chloro-2-hydroxyiminoacetate SMILES: CCOC(=O)C(\Cl)=N\O
| PubChem CID | 9576005 |
|---|---|
| CAS | 14337-43-0 |
| Molecular Weight (g/mol) | 151.55 |
| MDL Number | MFCD00010209 |
| SMILES | CCOC(=O)C(\Cl)=N\O |
| Synonym | ethyl 2-chloro-2-hydroxyimino acetate,2-chloro-2-hydroxyiminoacetic acid ethyl ester,ethyl chlorooximinoacetate,ethyl chloro oximido acetate,ethyl chlorooximidoacetate,z-ethyl 2-chloro-2-hydroxyimino acetate,chloro oxime,ethyl 2z-2-chloro-2-hydroxyimino acetate,e-ethyl 2-chloro-2-hydroxyimino acetate,ethyl 2z-chloro hydroxyimino ethanoate |
| IUPAC Name | ethyl (2Z)-2-chloro-2-hydroxyiminoacetate |
| InChI Key | UXOLDCOJRAMLTQ-UTCJRWHESA-N |
| Molecular Formula | C4H6ClNO3 |
2-chloro-5-methoxyphenylboronic acid, 97%
CAS: 89694-46-2 Molecular Formula: C7H8BClO3 Molecular Weight (g/mol): 186.40 MDL Number: MFCD06659858 InChI Key: REFXAANPQCJZRY-UHFFFAOYSA-N Synonym: 2-chloro-5-methoxyphenyl boronic acid,2-chloro-5-methoxyphenylboronicacid,3-borono-4-chloroanisole,2-chloro-5-methoxybenzeneboronic acid,2-chloro-5-methoxy-phenyl boronic acid,boronic acid, 2-chloro-5-methoxyphenyl,pubchem6932,acmc-209r2h,2-chloro-5-methoxylphenylboronic acid PubChem CID: 17750233 IUPAC Name: (2-chloro-5-methoxyphenyl)boronic acid SMILES: COC1=CC=C(Cl)C(=C1)B(O)O
| PubChem CID | 17750233 |
|---|---|
| CAS | 89694-46-2 |
| Molecular Weight (g/mol) | 186.40 |
| MDL Number | MFCD06659858 |
| SMILES | COC1=CC=C(Cl)C(=C1)B(O)O |
| Synonym | 2-chloro-5-methoxyphenyl boronic acid,2-chloro-5-methoxyphenylboronicacid,3-borono-4-chloroanisole,2-chloro-5-methoxybenzeneboronic acid,2-chloro-5-methoxy-phenyl boronic acid,boronic acid, 2-chloro-5-methoxyphenyl,pubchem6932,acmc-209r2h,2-chloro-5-methoxylphenylboronic acid |
| IUPAC Name | (2-chloro-5-methoxyphenyl)boronic acid |
| InChI Key | REFXAANPQCJZRY-UHFFFAOYSA-N |
| Molecular Formula | C7H8BClO3 |
N-(4-Oxocyclohexyl)acetamide, 98%
CAS: 27514-08-5 Molecular Formula: C8H13NO2 Molecular Weight (g/mol): 155.197 MDL Number: MFCD03703462 InChI Key: WZEMYWNHKFIVKE-UHFFFAOYSA-N Synonym: n-4-oxocyclohexyl acetamide,4-acetamidocyclohexanone,4-acetamido-cyclohexanone,4-acetylamino cyclohexanone,4-n-acetylamino cyclohexanone,4-n-acetyl-amino-cyclohexanone,n-4-oxo-cyclohexyl-acetamide,acetamide, n-4-oxocyclohexyl,4-aminocyclohexanone, n-acetyl PubChem CID: 538565 IUPAC Name: N-(4-oxocyclohexyl)acetamide SMILES: CC(=O)NC1CCC(=O)CC1
| PubChem CID | 538565 |
|---|---|
| CAS | 27514-08-5 |
| Molecular Weight (g/mol) | 155.197 |
| MDL Number | MFCD03703462 |
| SMILES | CC(=O)NC1CCC(=O)CC1 |
| Synonym | n-4-oxocyclohexyl acetamide,4-acetamidocyclohexanone,4-acetamido-cyclohexanone,4-acetylamino cyclohexanone,4-n-acetylamino cyclohexanone,4-n-acetyl-amino-cyclohexanone,n-4-oxo-cyclohexyl-acetamide,acetamide, n-4-oxocyclohexyl,4-aminocyclohexanone, n-acetyl |
| IUPAC Name | N-(4-oxocyclohexyl)acetamide |
| InChI Key | WZEMYWNHKFIVKE-UHFFFAOYSA-N |
| Molecular Formula | C8H13NO2 |
Ethyl 2-bromovalerate, 97%
CAS: 615-83-8 Molecular Formula: C7H13BrO2 Molecular Weight (g/mol): 209.083 MDL Number: MFCD00000159 InChI Key: ORSIRXYHFPHWTN-UHFFFAOYSA-N PubChem CID: 79071 IUPAC Name: ethyl 2-bromopentanoate SMILES: CCCC(C(=O)OCC)Br
| PubChem CID | 79071 |
|---|---|
| CAS | 615-83-8 |
| Molecular Weight (g/mol) | 209.083 |
| MDL Number | MFCD00000159 |
| SMILES | CCCC(C(=O)OCC)Br |
| IUPAC Name | ethyl 2-bromopentanoate |
| InChI Key | ORSIRXYHFPHWTN-UHFFFAOYSA-N |
| Molecular Formula | C7H13BrO2 |
5-Phenyl-1H-pyrazole-4-carboxylic acid, 97%
CAS: 5504-65-4 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD06798067,MFCD03834501 InChI Key: LGTJKUYVFSBOMC-UHFFFAOYSA-N Synonym: 3-phenyl-1h-pyrazole-4-carboxylic acid,3-phenylpyrazole-4-carboxylic acid,3-phenyl-2h-pyrazole-4-carboxylic acid,5-phenylpyrazole-4-carboxylic acid PubChem CID: 4138562 IUPAC Name: 5-phenyl-1H-pyrazole-4-carboxylic acid SMILES: OC(=O)C1=C(NN=C1)C1=CC=CC=C1
| PubChem CID | 4138562 |
|---|---|
| CAS | 5504-65-4 |
| Molecular Weight (g/mol) | 188.19 |
| MDL Number | MFCD06798067,MFCD03834501 |
| SMILES | OC(=O)C1=C(NN=C1)C1=CC=CC=C1 |
| Synonym | 3-phenyl-1h-pyrazole-4-carboxylic acid,3-phenylpyrazole-4-carboxylic acid,3-phenyl-2h-pyrazole-4-carboxylic acid,5-phenylpyrazole-4-carboxylic acid |
| IUPAC Name | 5-phenyl-1H-pyrazole-4-carboxylic acid |
| InChI Key | LGTJKUYVFSBOMC-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O2 |
Naproxen Sodium, USP, 98-102%, Spectrum™ Chemical
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CAS: 26159-34-2 Molecular Formula: C14H13NaO3 Molecular Weight (g/mol): 252.25 MDL Number: MFCD00058507 InChI Key: CDBRNDSHEYLDJV-FVGYRXGTSA-M IUPAC Name: sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate SMILES: [Na+].COC1=CC=C2C=C(C=CC2=C1)[C@H](C)C([O-])=O
| CAS | 26159-34-2 |
|---|---|
| Molecular Weight (g/mol) | 252.25 |
| MDL Number | MFCD00058507 |
| SMILES | [Na+].COC1=CC=C2C=C(C=CC2=C1)[C@H](C)C([O-])=O |
| IUPAC Name | sodium (2S)-2-(6-methoxynaphthalen-2-yl)propanoate |
| InChI Key | CDBRNDSHEYLDJV-FVGYRXGTSA-M |
| Molecular Formula | C14H13NaO3 |
Sodium Gluconate, USP, 98-102%, Spectrum™ Chemical
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CAS: 527-07-1 Molecular Formula: C6H11NaO7 Molecular Weight (g/mol): 218.14 InChI Key: UPMFZISCCZSDND-UHFFFAOYNA-M IUPAC Name: sodium 2,3,4,5,6-pentahydroxyhexanoate SMILES: [Na+].OCC(O)C(O)C(O)C(O)C([O-])=O
| CAS | 527-07-1 |
|---|---|
| Molecular Weight (g/mol) | 218.14 |
| SMILES | [Na+].OCC(O)C(O)C(O)C(O)C([O-])=O |
| IUPAC Name | sodium 2,3,4,5,6-pentahydroxyhexanoate |
| InChI Key | UPMFZISCCZSDND-UHFFFAOYNA-M |
| Molecular Formula | C6H11NaO7 |
Sodium Citrate, Anhydrous, USP, 99-100.5%, Spectrum™ Chemical
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CAS: 68-04-2 Molecular Formula: C6H5Na3O7 Molecular Weight (g/mol): 258.07 MDL Number: MFCD00012462 InChI Key: HRXKRNGNAMMEHJ-UHFFFAOYSA-K IUPAC Name: trisodium 2-hydroxypropane-1,2,3-tricarboxylate SMILES: [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
| CAS | 68-04-2 |
|---|---|
| Molecular Weight (g/mol) | 258.07 |
| MDL Number | MFCD00012462 |
| SMILES | [Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| IUPAC Name | trisodium 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | HRXKRNGNAMMEHJ-UHFFFAOYSA-K |
| Molecular Formula | C6H5Na3O7 |
1,3-Dimethyl-1H-pyrazole-5-carboxylic acid, 97%, Thermo Scientific™
CAS: 5744-56-9 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00159636 InChI Key: QRWZFUBHOQWUGH-UHFFFAOYSA-N Synonym: 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl PubChem CID: 587721 IUPAC Name: 2,5-dimethylpyrazole-3-carboxylic acid SMILES: CN1N=C(C)C=C1C(O)=O
| PubChem CID | 587721 |
|---|---|
| CAS | 5744-56-9 |
| Molecular Weight (g/mol) | 140.14 |
| MDL Number | MFCD00159636 |
| SMILES | CN1N=C(C)C=C1C(O)=O |
| Synonym | 1,3-dimethyl-1h-pyrazole-5-carboxylic acid,1,3-dimethylpyrazole-5-carboxylic acid,2,5-dimethyl-2h-pyrazole-3-carboxylic acid,1h-pyrazole-5-carboxylic acid, 1,3-dimethyl,1,3-dimethylpyrazole-5-carboxylicacid,pubchem7839,ksc269g2l,1,3-dimethylpyrazol-5-carboxylic acid,pyrazole-5-carboxylic acid, 1,3-dmethyl,1h-pyrazole-5-carboxylicacid, 1,3-dimethyl |
| IUPAC Name | 2,5-dimethylpyrazole-3-carboxylic acid |
| InChI Key | QRWZFUBHOQWUGH-UHFFFAOYSA-N |
| Molecular Formula | C6H8N2O2 |
3-(1-Naphthyl)propionic acid, 96%
CAS: 3243-42-3 Molecular Formula: C13H12O2 Molecular Weight (g/mol): 200.24 MDL Number: MFCD00033058 InChI Key: PRLKVVMRQFFIOQ-UHFFFAOYSA-N Synonym: 3-1-naphthyl propionic acid,3-naphthalen-1-yl propanoic acid,1-naphthalenepropanoic acid,1-naphthalenepropionic acid,3-1-naphthyl-propionic acid,3-1-naphthyl propanoic acid,3-naphth-1-yl propanoic acid,3-naphthalen-1-yl-propionic acid,1-naphthalenepropanoicacid,3-naphthylpropanoic acid PubChem CID: 95254 IUPAC Name: 3-naphthalen-1-ylpropanoic acid SMILES: OC(=O)CCC1=C2C=CC=CC2=CC=C1
| PubChem CID | 95254 |
|---|---|
| CAS | 3243-42-3 |
| Molecular Weight (g/mol) | 200.24 |
| MDL Number | MFCD00033058 |
| SMILES | OC(=O)CCC1=C2C=CC=CC2=CC=C1 |
| Synonym | 3-1-naphthyl propionic acid,3-naphthalen-1-yl propanoic acid,1-naphthalenepropanoic acid,1-naphthalenepropionic acid,3-1-naphthyl-propionic acid,3-1-naphthyl propanoic acid,3-naphth-1-yl propanoic acid,3-naphthalen-1-yl-propionic acid,1-naphthalenepropanoicacid,3-naphthylpropanoic acid |
| IUPAC Name | 3-naphthalen-1-ylpropanoic acid |
| InChI Key | PRLKVVMRQFFIOQ-UHFFFAOYSA-N |
| Molecular Formula | C13H12O2 |
Indole-7-carboxylic acid, 97%
CAS: 1670-83-3 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00210442 InChI Key: IPDOBVFESNNYEE-UHFFFAOYSA-N Synonym: indole-7-carboxylic acid,7-indolecarboxylic acid,indole-7-carboxylicacid,zlchem 444,pubchem2475,7-carboxyindole,acmc-209dvl,indole-7-carboxlic acid,indole 7-carboxylic acid,1h-indole-7-carboxylicacid PubChem CID: 74281 IUPAC Name: 1H-indole-7-carboxylic acid SMILES: C1=CC2=C(C(=C1)C(=O)O)NC=C2
| PubChem CID | 74281 |
|---|---|
| CAS | 1670-83-3 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD00210442 |
| SMILES | C1=CC2=C(C(=C1)C(=O)O)NC=C2 |
| Synonym | indole-7-carboxylic acid,7-indolecarboxylic acid,indole-7-carboxylicacid,zlchem 444,pubchem2475,7-carboxyindole,acmc-209dvl,indole-7-carboxlic acid,indole 7-carboxylic acid,1h-indole-7-carboxylicacid |
| IUPAC Name | 1H-indole-7-carboxylic acid |
| InChI Key | IPDOBVFESNNYEE-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
4-Methylnaphthalene-1-boronic acid, 96%
CAS: 103986-53-4 Molecular Formula: C11H11BO2 Molecular Weight (g/mol): 186.02 MDL Number: MFCD01632204 InChI Key: JHVQEUGNYSVSDH-UHFFFAOYSA-N Synonym: 4-methyl-1-naphthaleneboronic acid,4-methyl-1-naphthalene boronic acid,4-methylnaphthalene-1-boronic acid,1-methylnaphthalene-4-boronic acid,4-methylnaphthalen-1-yl boronic acid,1-borono-4-methylnaphthalene,4-methyl-1-naphthyl boronic acid,4-methyl-1-naphthylboronic acid,4-methylnaphthalen-1-yl boranediol,boronic acid, 4-methyl-1-naphthalenyl PubChem CID: 2773511 IUPAC Name: (4-methylnaphthalen-1-yl)boronic acid SMILES: CC1=CC=C(B(O)O)C2=CC=CC=C12
| PubChem CID | 2773511 |
|---|---|
| CAS | 103986-53-4 |
| Molecular Weight (g/mol) | 186.02 |
| MDL Number | MFCD01632204 |
| SMILES | CC1=CC=C(B(O)O)C2=CC=CC=C12 |
| Synonym | 4-methyl-1-naphthaleneboronic acid,4-methyl-1-naphthalene boronic acid,4-methylnaphthalene-1-boronic acid,1-methylnaphthalene-4-boronic acid,4-methylnaphthalen-1-yl boronic acid,1-borono-4-methylnaphthalene,4-methyl-1-naphthyl boronic acid,4-methyl-1-naphthylboronic acid,4-methylnaphthalen-1-yl boranediol,boronic acid, 4-methyl-1-naphthalenyl |
| IUPAC Name | (4-methylnaphthalen-1-yl)boronic acid |
| InChI Key | JHVQEUGNYSVSDH-UHFFFAOYSA-N |
| Molecular Formula | C11H11BO2 |
4-Isopropoxybenzeneboronic acid, 97%
CAS: 153624-46-5 Molecular Formula: C9H13BO3 Molecular Weight (g/mol): 180.01 MDL Number: MFCD03427051 InChI Key: CJUHQADBFQRIMC-UHFFFAOYSA-N Synonym: 4-isopropoxyphenylboronic acid,4-isopropoxylphenylboronic acid,4-isopropoxyphenyl boronic acid,4-isopropoxybenzeneboronic acid,4-isopropyloxyphenylboronic acid,4-propan-2-yloxyphenyl boronic acid,boronic acid, 4-1-methylethoxy phenyl,4-propan-2-yloxy phenyl boronic acid,4-iso-propoxyphenylboronic acid,p-isopropoxyphenylboronic acid PubChem CID: 3698726 IUPAC Name: (4-propan-2-yloxyphenyl)boronic acid SMILES: B(C1=CC=C(C=C1)OC(C)C)(O)O
| PubChem CID | 3698726 |
|---|---|
| CAS | 153624-46-5 |
| Molecular Weight (g/mol) | 180.01 |
| MDL Number | MFCD03427051 |
| SMILES | B(C1=CC=C(C=C1)OC(C)C)(O)O |
| Synonym | 4-isopropoxyphenylboronic acid,4-isopropoxylphenylboronic acid,4-isopropoxyphenyl boronic acid,4-isopropoxybenzeneboronic acid,4-isopropyloxyphenylboronic acid,4-propan-2-yloxyphenyl boronic acid,boronic acid, 4-1-methylethoxy phenyl,4-propan-2-yloxy phenyl boronic acid,4-iso-propoxyphenylboronic acid,p-isopropoxyphenylboronic acid |
| IUPAC Name | (4-propan-2-yloxyphenyl)boronic acid |
| InChI Key | CJUHQADBFQRIMC-UHFFFAOYSA-N |
| Molecular Formula | C9H13BO3 |