Carboxylic acids and derivatives
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4-Nitrobenzhydrazide, 98+%
CAS: 636-97-5 Molecular Formula: C7H7N3O3 Molecular Weight (g/mol): 181.151 MDL Number: MFCD00007604 InChI Key: FKZXYJYTUSGIQE-UHFFFAOYSA-N Synonym: 4-nitrobenzhydrazide,p-nitrobenzhydrazide,4-nitrobenzoylhydrazine,p-nitrobenzohydrazide,p-nitrobenzoylhydrazide,p-nitrobenzoic hydrazide,p-nitrobenzoic acid hydrazide,p-nitrobenzoyl hydrazine,4-nitrobenzoic acid hydrazide,4-nitrobenzoyl hydrazide PubChem CID: 3693744 ChEBI: CHEBI:66928 IUPAC Name: 4-nitrobenzohydrazide SMILES: C1=CC(=CC=C1C(=O)NN)[N+](=O)[O-]
| PubChem CID | 3693744 |
|---|---|
| CAS | 636-97-5 |
| Molecular Weight (g/mol) | 181.151 |
| ChEBI | CHEBI:66928 |
| MDL Number | MFCD00007604 |
| SMILES | C1=CC(=CC=C1C(=O)NN)[N+](=O)[O-] |
| Synonym | 4-nitrobenzhydrazide,p-nitrobenzhydrazide,4-nitrobenzoylhydrazine,p-nitrobenzohydrazide,p-nitrobenzoylhydrazide,p-nitrobenzoic hydrazide,p-nitrobenzoic acid hydrazide,p-nitrobenzoyl hydrazine,4-nitrobenzoic acid hydrazide,4-nitrobenzoyl hydrazide |
| IUPAC Name | 4-nitrobenzohydrazide |
| InChI Key | FKZXYJYTUSGIQE-UHFFFAOYSA-N |
| Molecular Formula | C7H7N3O3 |
3-Pyrazolidinone hydrochloride, 98%
CAS: 1752-88-1 Molecular Formula: C3H7ClN2O Molecular Weight (g/mol): 122.55 MDL Number: MFCD00043787 InChI Key: HAYWTXQRYXYRAF-UHFFFAOYSA-N Synonym: 3-pyrazolidinone hydrochloride,pyrazolidin-3-one hydrochloride,4,5-dihydro-1h-pyrazol-3-ol hydrochloride,3-pyrazolidinone, monohydrochloride,tetrahydro-3h-pyrazol-3-one hydrochloride,3-pyrazolidinone hcl,3-pyrazolidone hydrochloride,ksc493k0l,pyrazolidin-3-on-hydrochloride,pyrazolidin-3-one hydrogen chloride PubChem CID: 2733712 SMILES: [H+].[Cl-].O=C1CCNN1
| PubChem CID | 2733712 |
|---|---|
| CAS | 1752-88-1 |
| Molecular Weight (g/mol) | 122.55 |
| MDL Number | MFCD00043787 |
| SMILES | [H+].[Cl-].O=C1CCNN1 |
| Synonym | 3-pyrazolidinone hydrochloride,pyrazolidin-3-one hydrochloride,4,5-dihydro-1h-pyrazol-3-ol hydrochloride,3-pyrazolidinone, monohydrochloride,tetrahydro-3h-pyrazol-3-one hydrochloride,3-pyrazolidinone hcl,3-pyrazolidone hydrochloride,ksc493k0l,pyrazolidin-3-on-hydrochloride,pyrazolidin-3-one hydrogen chloride |
| InChI Key | HAYWTXQRYXYRAF-UHFFFAOYSA-N |
| Molecular Formula | C3H7ClN2O |
Cyclohexanecarboxylic acid, 98%
CAS: 98-89-5 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00001461 InChI Key: NZNMSOFKMUBTKW-UHFFFAOYSA-N Synonym: hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid PubChem CID: 7413 ChEBI: CHEBI:36096 IUPAC Name: cyclohexanecarboxylic acid SMILES: C1CCC(CC1)C(=O)O
| PubChem CID | 7413 |
|---|---|
| CAS | 98-89-5 |
| Molecular Weight (g/mol) | 128.17 |
| ChEBI | CHEBI:36096 |
| MDL Number | MFCD00001461 |
| SMILES | C1CCC(CC1)C(=O)O |
| Synonym | hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid |
| IUPAC Name | cyclohexanecarboxylic acid |
| InChI Key | NZNMSOFKMUBTKW-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
4-Pyridazinecarboxylic acid, 95%
CAS: 50681-25-9 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.1 InChI Key: JUSIWJONLKBPDU-UHFFFAOYSA-N Synonym: 4-pyridazinecarboxylic acid,4-carboxypyridazine,4-pyridazinecarboxylicacid,pubchem9501,acmc-1alr8,pyridazin-4-carboxylic acid,4-pyridazine-carboxylic acid,ksc269i2f,pyridazin-4-yl formate,1,2-diazine-4-carboxylic acid PubChem CID: 2761046 IUPAC Name: pyridazine-4-carboxylic acid SMILES: C1=CN=NC=C1C(=O)O
| PubChem CID | 2761046 |
|---|---|
| CAS | 50681-25-9 |
| Molecular Weight (g/mol) | 124.1 |
| SMILES | C1=CN=NC=C1C(=O)O |
| Synonym | 4-pyridazinecarboxylic acid,4-carboxypyridazine,4-pyridazinecarboxylicacid,pubchem9501,acmc-1alr8,pyridazin-4-carboxylic acid,4-pyridazine-carboxylic acid,ksc269i2f,pyridazin-4-yl formate,1,2-diazine-4-carboxylic acid |
| IUPAC Name | pyridazine-4-carboxylic acid |
| InChI Key | JUSIWJONLKBPDU-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O2 |
Isopropyl Acetate, Certified Reference Material, MilliporeSigma™ Supelco™
Pharmaceutical secondary standards for applications in quality control. Provides pharma laboratories and manufacturers with a convenient, cost-effective alternative to the preparation of in-house working standards.
| Boiling Point | 85°C to 91°C (literature) |
|---|---|
| Linear Formula | CH3COOCH(CH3)2 |
| Grade | Certified Reference Material |
| Vapor Pressure | 47 mmHg (20°C) |
| Vapor Density | 3.5 (vs air) |
| CAS | 108-21-4 |
| MDL Number | MFCD00008877 |
| Flash Point | 4°C (Not applicable) |
| Health Hazard 1 | H225 - H319 - H336 |
| Refractive Index | n20/D 1.377 (literature) |
| Synonym | Isopropyl Acetate; Acetic Acid Isopropyl Ester |
| Molecular Formula | C5H10O2 |
| Formula Weight | 102.13 |
| Melting Point | -73°C (literature) |
Cesium Acetate, Ultrapure, 99.99%, Spectrum™ Chemical
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CAS: 3396-11-0
| CAS | 3396-11-0 |
|---|
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 |
Ethyl levulinate, 98%
CAS: 539-88-8 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009209 InChI Key: GMEONFUTDYJSNV-UHFFFAOYSA-N Synonym: ethyl levulinate,ethyl levulate,ethyl laevulinate,levulinic acid, ethyl ester,ethyl 4-ketovalerate,ethyl 3-acetylpropionate,ethyl 4-oxovalerate,pentanoic acid, 4-oxo-, ethyl ester,ethyl ketovalerate,ethyl acetylpropanoate PubChem CID: 10883 IUPAC Name: ethyl 4-oxopentanoate SMILES: CCOC(=O)CCC(C)=O
| PubChem CID | 10883 |
|---|---|
| CAS | 539-88-8 |
| Molecular Weight (g/mol) | 144.17 |
| MDL Number | MFCD00009209 |
| SMILES | CCOC(=O)CCC(C)=O |
| Synonym | ethyl levulinate,ethyl levulate,ethyl laevulinate,levulinic acid, ethyl ester,ethyl 4-ketovalerate,ethyl 3-acetylpropionate,ethyl 4-oxovalerate,pentanoic acid, 4-oxo-, ethyl ester,ethyl ketovalerate,ethyl acetylpropanoate |
| IUPAC Name | ethyl 4-oxopentanoate |
| InChI Key | GMEONFUTDYJSNV-UHFFFAOYSA-N |
| Molecular Formula | C7H12O3 |
Ethyl indole-2-carboxylate, 98+%
CAS: 3770-50-1 Molecular Formula: C11H11NO2 Molecular Weight (g/mol): 189.21 MDL Number: MFCD00005609 InChI Key: QQXQAEWRSVZPJM-UHFFFAOYSA-N Synonym: ethyl indole-2-carboxylate,indole-2-carboxylic acid ethyl ester,2-carbethoxyindole,1h-indole-2-carboxylic acid, ethyl ester,indole-2-carboxylic acid, ethyl ester,1h-indole-2-carboxylic acid ethyl ester,ethylindole-2-carboxylate,ethyl 2-indolecarboxylate,1h-indole-2-carboxylic acid,ethyl ester,2-carboethoxyindole PubChem CID: 73125 IUPAC Name: ethyl 1H-indole-2-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2N1
| PubChem CID | 73125 |
|---|---|
| CAS | 3770-50-1 |
| Molecular Weight (g/mol) | 189.21 |
| MDL Number | MFCD00005609 |
| SMILES | CCOC(=O)C1=CC2=CC=CC=C2N1 |
| Synonym | ethyl indole-2-carboxylate,indole-2-carboxylic acid ethyl ester,2-carbethoxyindole,1h-indole-2-carboxylic acid, ethyl ester,indole-2-carboxylic acid, ethyl ester,1h-indole-2-carboxylic acid ethyl ester,ethylindole-2-carboxylate,ethyl 2-indolecarboxylate,1h-indole-2-carboxylic acid,ethyl ester,2-carboethoxyindole |
| IUPAC Name | ethyl 1H-indole-2-carboxylate |
| InChI Key | QQXQAEWRSVZPJM-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO2 |
beta-D-Glucose pentaacetate, 98%
CAS: 604-69-3 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.341 MDL Number: MFCD00006597 InChI Key: LPTITAGPBXDDGR-IBEHDNSVSA-N Synonym: beta-d-glucose pentaacetate,penta-o-acetyl-beta-d-glucopyranose,unii-v833p95coc,1,2,3,4,6-penta-o-acetyl-beta-d-glucopyranose,1,2,3,4,6-penta-o-acetyl-b-d-glucopyranose,beta-d-glucopyranose pentaacetate,2r,3r,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,2s,3r,4s,5r,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,glucopyranose, pentaacetate, .beta.-d,penta-o-acetyl-β PubChem CID: 2724702 IUPAC Name: [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
| PubChem CID | 2724702 |
|---|---|
| CAS | 604-69-3 |
| Molecular Weight (g/mol) | 390.341 |
| MDL Number | MFCD00006597 |
| SMILES | CC(=O)OCC1C(C(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| Synonym | beta-d-glucose pentaacetate,penta-o-acetyl-beta-d-glucopyranose,unii-v833p95coc,1,2,3,4,6-penta-o-acetyl-beta-d-glucopyranose,1,2,3,4,6-penta-o-acetyl-b-d-glucopyranose,beta-d-glucopyranose pentaacetate,2r,3r,4s,5r,6s-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,2s,3r,4s,5r,6r-6-acetoxymethyl tetrahydro-2h-pyran-2,3,4,5-tetrayl tetraacetate,glucopyranose, pentaacetate, .beta.-d,penta-o-acetyl-β |
| IUPAC Name | [(2R,3R,4S,5R,6S)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
| InChI Key | LPTITAGPBXDDGR-IBEHDNSVSA-N |
| Molecular Formula | C16H22O11 |
Thermo Scientific Chemicals alpha-D-Glucose pentaacetate, 98%
CAS: 604-68-2 Molecular Formula: C16H22O11 Molecular Weight (g/mol): 390.34 MDL Number: MFCD00064071,MFCD00064081 InChI Key: LPTITAGPBXDDGR-UHFFFAOYNA-N Synonym: alpha-d-glucose pentaacetate,a-d-glucopyranose pentaacetate,pentaacetyl-alpha-d-glucose,penta-o-acetyl-alpha-d-glucopyranose,unii-1cs424ns93,1,2,3,4,6-penta-o-acetyl-alpha-d-glucopyranose,alpha-d-glucopyranose pentaacetate,2r,3r,4s,5r,6r-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,glucopyranose, pentaacetate, .alpha.-d,a-d-glucose pentaacetate PubChem CID: 2723636 IUPAC Name: [(2R,3R,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate SMILES: CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O
| PubChem CID | 2723636 |
|---|---|
| CAS | 604-68-2 |
| Molecular Weight (g/mol) | 390.34 |
| MDL Number | MFCD00064071,MFCD00064081 |
| SMILES | CC(=O)OCC1OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O |
| Synonym | alpha-d-glucose pentaacetate,a-d-glucopyranose pentaacetate,pentaacetyl-alpha-d-glucose,penta-o-acetyl-alpha-d-glucopyranose,unii-1cs424ns93,1,2,3,4,6-penta-o-acetyl-alpha-d-glucopyranose,alpha-d-glucopyranose pentaacetate,2r,3r,4s,5r,6r-3,4,5,6-tetrakis acetyloxy oxan-2-yl methyl acetate,glucopyranose, pentaacetate, .alpha.-d,a-d-glucose pentaacetate |
| IUPAC Name | [(2R,3R,4S,5R,6R)-3,4,5,6-tetraacetyloxyoxan-2-yl]methyl acetate |
| InChI Key | LPTITAGPBXDDGR-UHFFFAOYNA-N |
| Molecular Formula | C16H22O11 |
Thapsigargin, 95%
CAS: 67526-95-8 Molecular Formula: C34H50O12 Molecular Weight (g/mol): 650.76 MDL Number: MFCD00083511 InChI Key: IXFPJGBNCFXKPI-FSIHEZPISA-N PubChem CID: 126969181 SMILES: CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC
| PubChem CID | 126969181 |
|---|---|
| CAS | 67526-95-8 |
| Molecular Weight (g/mol) | 650.76 |
| MDL Number | MFCD00083511 |
| SMILES | CCCCCCCC(=O)O[C@@H]1[C@@H](OC(=O)C(\C)=C/C)C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@H](C[C@](C)(OC(C)=O)[C@@H]12)OC(=O)CCC |
| InChI Key | IXFPJGBNCFXKPI-FSIHEZPISA-N |
| Molecular Formula | C34H50O12 |
N-(3-hydroxypropyl)phthalimide, 99%
CAS: 883-44-3 Molecular Formula: C11H11NO3 Molecular Weight (g/mol): 205.21 MDL Number: MFCD00023097 InChI Key: BSMILTTURCQDGJ-UHFFFAOYSA-N Synonym: n-3-hydroxypropyl phthalimide,2-3-hydroxypropyl isoindoline-1,3-dione,n-3-hydroxypropyl-phthalimide,1h-isoindole-1,3 2h-dione, 2-3-hydroxypropyl,3-phthalimido-1-propanol,2-3-hydroxypropyl isoindole-1,3-dione,2-3-hydroxypropyl-1h-isoindole-1,3 2h-dione,3-phthalimidopropanol,3-phthalimidylpropanol,acmc-209qsg PubChem CID: 70160 IUPAC Name: 2-(3-hydroxypropyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCCO
| PubChem CID | 70160 |
|---|---|
| CAS | 883-44-3 |
| Molecular Weight (g/mol) | 205.21 |
| MDL Number | MFCD00023097 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCCO |
| Synonym | n-3-hydroxypropyl phthalimide,2-3-hydroxypropyl isoindoline-1,3-dione,n-3-hydroxypropyl-phthalimide,1h-isoindole-1,3 2h-dione, 2-3-hydroxypropyl,3-phthalimido-1-propanol,2-3-hydroxypropyl isoindole-1,3-dione,2-3-hydroxypropyl-1h-isoindole-1,3 2h-dione,3-phthalimidopropanol,3-phthalimidylpropanol,acmc-209qsg |
| IUPAC Name | 2-(3-hydroxypropyl)isoindole-1,3-dione |
| InChI Key | BSMILTTURCQDGJ-UHFFFAOYSA-N |
| Molecular Formula | C11H11NO3 |
N-(Chloromethyl)phthalimide, 97%
CAS: 17564-64-6 Molecular Formula: C9H6ClNO2 Molecular Weight (g/mol): 195.602 MDL Number: MFCD00005898 InChI Key: JKGLRGGCGUQNEX-UHFFFAOYSA-N Synonym: n-chloromethyl phthalimide,2-chloromethyl isoindoline-1,3-dione,n-chloromethylphthalimide,chloromethylphthalimide,n-chloromethyltrimellitimide,1h-isoindole-1,3 2h-dione, 2-chloromethyl,phthalimide, n-chloromethyl,2-chloromethyl isoindole-1,3-dione,2-chloromethyl-1h-isoindole-1,3 2h-dione PubChem CID: 87154 IUPAC Name: 2-(chloromethyl)isoindole-1,3-dione SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)CCl
| PubChem CID | 87154 |
|---|---|
| CAS | 17564-64-6 |
| Molecular Weight (g/mol) | 195.602 |
| MDL Number | MFCD00005898 |
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)CCl |
| Synonym | n-chloromethyl phthalimide,2-chloromethyl isoindoline-1,3-dione,n-chloromethylphthalimide,chloromethylphthalimide,n-chloromethyltrimellitimide,1h-isoindole-1,3 2h-dione, 2-chloromethyl,phthalimide, n-chloromethyl,2-chloromethyl isoindole-1,3-dione,2-chloromethyl-1h-isoindole-1,3 2h-dione |
| IUPAC Name | 2-(chloromethyl)isoindole-1,3-dione |
| InChI Key | JKGLRGGCGUQNEX-UHFFFAOYSA-N |
| Molecular Formula | C9H6ClNO2 |
Ethyl tiglate, 98%
CAS: 5837-78-5 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.171 MDL Number: MFCD00015183 InChI Key: OAPHLAAOJMTMLY-GQCTYLIASA-N Synonym: ethyl tiglate,tiglic acid, ethyl ester,ethyl 2-methylcrotonate,ethyl alpha-methylcrotonate,ethyl trans-2-methyl-2-butenoate,e-2-methyl-2-butenoic acid ethyl ester,ethyl e-2-methylcrotonate,ethyl trans-2-methylcrotonate,tiglic acid ethyl ester,ethyl 2-methylbut-2-enoate PubChem CID: 5281163 ChEBI: CHEBI:4892 IUPAC Name: ethyl (E)-2-methylbut-2-enoate SMILES: CCOC(=O)C(=CC)C
| PubChem CID | 5281163 |
|---|---|
| CAS | 5837-78-5 |
| Molecular Weight (g/mol) | 128.171 |
| ChEBI | CHEBI:4892 |
| MDL Number | MFCD00015183 |
| SMILES | CCOC(=O)C(=CC)C |
| Synonym | ethyl tiglate,tiglic acid, ethyl ester,ethyl 2-methylcrotonate,ethyl alpha-methylcrotonate,ethyl trans-2-methyl-2-butenoate,e-2-methyl-2-butenoic acid ethyl ester,ethyl e-2-methylcrotonate,ethyl trans-2-methylcrotonate,tiglic acid ethyl ester,ethyl 2-methylbut-2-enoate |
| IUPAC Name | ethyl (E)-2-methylbut-2-enoate |
| InChI Key | OAPHLAAOJMTMLY-GQCTYLIASA-N |
| Molecular Formula | C7H12O2 |