Organic acids and derivatives
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N-Propargylphthalimide, 98%
CAS: 7223-50-9 Molecular Formula: C11H7NO2 Molecular Weight (g/mol): 185.18 MDL Number: MFCD00065028 InChI Key: PAZCLCHJOWLTGA-UHFFFAOYSA-N Synonym: n-propargylphthalimide,2-prop-2-yn-1-yl isoindoline-1,3-dione,n-prop-2-ynylphthalimide,2-2-propynyl-1h-isoindole-1,3 2h-dione,2-prop-2-ynyl-isoindole-1,3-dione,n-propargyl phthalimide,1h-isoindole-1,3 2h-dione, 2-2-propynyl,2-prop-2-ynyl isoindoline-1,3-dione,2-prop-2-yn-1-yl isoindole-1,3-dione,1h-isoindole-1,3 2h-dione,2-2-propyn-1-yl PubChem CID: 81644 IUPAC Name: 2-prop-2-ynylisoindole-1,3-dione SMILES: O=C1N(CC#C)C(=O)C2=CC=CC=C12
| PubChem CID | 81644 |
|---|---|
| CAS | 7223-50-9 |
| Molecular Weight (g/mol) | 185.18 |
| MDL Number | MFCD00065028 |
| SMILES | O=C1N(CC#C)C(=O)C2=CC=CC=C12 |
| Synonym | n-propargylphthalimide,2-prop-2-yn-1-yl isoindoline-1,3-dione,n-prop-2-ynylphthalimide,2-2-propynyl-1h-isoindole-1,3 2h-dione,2-prop-2-ynyl-isoindole-1,3-dione,n-propargyl phthalimide,1h-isoindole-1,3 2h-dione, 2-2-propynyl,2-prop-2-ynyl isoindoline-1,3-dione,2-prop-2-yn-1-yl isoindole-1,3-dione,1h-isoindole-1,3 2h-dione,2-2-propyn-1-yl |
| IUPAC Name | 2-prop-2-ynylisoindole-1,3-dione |
| InChI Key | PAZCLCHJOWLTGA-UHFFFAOYSA-N |
| Molecular Formula | C11H7NO2 |
Cyclopentene-1-boronic acid, 97%
CAS: 850036-28-1 Molecular Formula: C5H9BO2 Molecular Weight (g/mol): 111.935 MDL Number: MFCD02179496 InChI Key: UZBHNSVUMGIKLU-UHFFFAOYSA-N Synonym: cyclopent-1-en-1-ylboronic acid,1-cyclopentenylboronic acid,cyclopentenylboronic acid,cyclopent-1-en-1-yl boronic acid,cyclopentene-1-boronic acid,cyclopenten-1-yl boronic acid,cyclopent-1-ene-1-boronic acid,boronic acid, 1-cyclopenten-1-yl,cyclopenteneboronic acid,acmc-209pzb PubChem CID: 3861343 IUPAC Name: cyclopenten-1-ylboronic acid SMILES: B(C1=CCCC1)(O)O
| PubChem CID | 3861343 |
|---|---|
| CAS | 850036-28-1 |
| Molecular Weight (g/mol) | 111.935 |
| MDL Number | MFCD02179496 |
| SMILES | B(C1=CCCC1)(O)O |
| Synonym | cyclopent-1-en-1-ylboronic acid,1-cyclopentenylboronic acid,cyclopentenylboronic acid,cyclopent-1-en-1-yl boronic acid,cyclopentene-1-boronic acid,cyclopenten-1-yl boronic acid,cyclopent-1-ene-1-boronic acid,boronic acid, 1-cyclopenten-1-yl,cyclopenteneboronic acid,acmc-209pzb |
| IUPAC Name | cyclopenten-1-ylboronic acid |
| InChI Key | UZBHNSVUMGIKLU-UHFFFAOYSA-N |
| Molecular Formula | C5H9BO2 |
1-Naphthyl trifluoromethanesulfonate, 97%
CAS: 99747-74-7 Molecular Formula: C11H7F3O3S Molecular Weight (g/mol): 276.229 MDL Number: MFCD00192340 InChI Key: WQWUQDVFRYMMCY-UHFFFAOYSA-N Synonym: 1-naphthyl trifluoromethanesulfonate,1-naphthyl triflate,1-naphthyl-triflate,1-naphthalenyl triflate,acmc-20aot0,1-trifluoromethanesulfonyl naphthalene PubChem CID: 378884 IUPAC Name: naphthalen-1-yl trifluoromethanesulfonate SMILES: C1=CC=C2C(=C1)C=CC=C2OS(=O)(=O)C(F)(F)F
| PubChem CID | 378884 |
|---|---|
| CAS | 99747-74-7 |
| Molecular Weight (g/mol) | 276.229 |
| MDL Number | MFCD00192340 |
| SMILES | C1=CC=C2C(=C1)C=CC=C2OS(=O)(=O)C(F)(F)F |
| Synonym | 1-naphthyl trifluoromethanesulfonate,1-naphthyl triflate,1-naphthyl-triflate,1-naphthalenyl triflate,acmc-20aot0,1-trifluoromethanesulfonyl naphthalene |
| IUPAC Name | naphthalen-1-yl trifluoromethanesulfonate |
| InChI Key | WQWUQDVFRYMMCY-UHFFFAOYSA-N |
| Molecular Formula | C11H7F3O3S |
Pyridine-4-boronic acid hydrochloride, 95%
CAS: 913835-65-1 Molecular Formula: C5H7BClNO2 Molecular Weight (g/mol): 159.38 MDL Number: MFCD06201888 InChI Key: NCZXYQJUECNKAD-UHFFFAOYSA-N Synonym: pyridine-4-boronic acid hydrochloride,pyridin-4-ylboronic acid hydrochloride,pyridine-4-boronic acid, hcl,4-pyridineboronic acid, hydrochloride,pyridine-4-boronic acid hcl,pyridine-4-boronic acid-hydrogen chloride,boronicacid, b-4-pyridinyl-, hydrochloride 1:1,c5h6bno2.hcl,pyridineboronic acid, 4-, hcl,4-pyridineboronic acid, hcl PubChem CID: 44118740 IUPAC Name: pyridin-4-ylboronic acid;hydrochloride SMILES: Cl.OB(O)C1=CC=NC=C1
| PubChem CID | 44118740 |
|---|---|
| CAS | 913835-65-1 |
| Molecular Weight (g/mol) | 159.38 |
| MDL Number | MFCD06201888 |
| SMILES | Cl.OB(O)C1=CC=NC=C1 |
| Synonym | pyridine-4-boronic acid hydrochloride,pyridin-4-ylboronic acid hydrochloride,pyridine-4-boronic acid, hcl,4-pyridineboronic acid, hydrochloride,pyridine-4-boronic acid hcl,pyridine-4-boronic acid-hydrogen chloride,boronicacid, b-4-pyridinyl-, hydrochloride 1:1,c5h6bno2.hcl,pyridineboronic acid, 4-, hcl,4-pyridineboronic acid, hcl |
| IUPAC Name | pyridin-4-ylboronic acid;hydrochloride |
| InChI Key | NCZXYQJUECNKAD-UHFFFAOYSA-N |
| Molecular Formula | C5H7BClNO2 |
N-Boc-glycinamide, 95%
CAS: 35150-09-5 Molecular Formula: C7H14N2O3 Molecular Weight (g/mol): 174.2 MDL Number: MFCD08275106 InChI Key: RHONTQZNLFIDCQ-UHFFFAOYSA-N Synonym: boc-glycinamide,tert-butyl 2-amino-2-oxoethyl carbamate,boc-gly-nh2,tert-butyl n-carbamoylmethyl carbamate,n-tert-butoxycarbonyl-l-glycinamide,carbamic acid, 2-amino-2-oxoethyl-, 1,1-dimethylethyl ester,carbamoylmethyl-carbamic acid tert-butyl ester,boc-glycine amide,t-butyl 2-amino-2-oxoethyl carbamate PubChem CID: 10910064 IUPAC Name: tert-butyl N-(2-amino-2-oxoethyl)carbamate SMILES: CC(C)(C)OC(=O)NCC(=O)N
| PubChem CID | 10910064 |
|---|---|
| CAS | 35150-09-5 |
| Molecular Weight (g/mol) | 174.2 |
| MDL Number | MFCD08275106 |
| SMILES | CC(C)(C)OC(=O)NCC(=O)N |
| Synonym | boc-glycinamide,tert-butyl 2-amino-2-oxoethyl carbamate,boc-gly-nh2,tert-butyl n-carbamoylmethyl carbamate,n-tert-butoxycarbonyl-l-glycinamide,carbamic acid, 2-amino-2-oxoethyl-, 1,1-dimethylethyl ester,carbamoylmethyl-carbamic acid tert-butyl ester,boc-glycine amide,t-butyl 2-amino-2-oxoethyl carbamate |
| IUPAC Name | tert-butyl N-(2-amino-2-oxoethyl)carbamate |
| InChI Key | RHONTQZNLFIDCQ-UHFFFAOYSA-N |
| Molecular Formula | C7H14N2O3 |
1-Ethyl-3-methylimidazolium diethyl phosphate, 98%
CAS: 848641-69-0 Molecular Formula: C10H21N2O4P Molecular Weight (g/mol): 264.26 MDL Number: MFCD09953486 InChI Key: HQWOEDCLDNFWEV-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium diethyl phosphate,1-ethyl-3-methylimidazolium diethylphosphate,dsstox_cid_27865,dsstox_rid_82618,dsstox_gsid_47889,emim dep,basionics™ lq 11,1-ethyl-3-methylimidazolium-diethyl phosphate,1-ethyl-3-methylimidazolium diethyl phosphate hplc PubChem CID: 53316406 IUPAC Name: diethyl phosphate;1-ethyl-3-methylimidazol-3-ium SMILES: CCN1C=C[N+](C)=C1.CCOP([O-])(=O)OCC
| PubChem CID | 53316406 |
|---|---|
| CAS | 848641-69-0 |
| Molecular Weight (g/mol) | 264.26 |
| MDL Number | MFCD09953486 |
| SMILES | CCN1C=C[N+](C)=C1.CCOP([O-])(=O)OCC |
| Synonym | 1-ethyl-3-methylimidazolium diethyl phosphate,1-ethyl-3-methylimidazolium diethylphosphate,dsstox_cid_27865,dsstox_rid_82618,dsstox_gsid_47889,emim dep,basionics™ lq 11,1-ethyl-3-methylimidazolium-diethyl phosphate,1-ethyl-3-methylimidazolium diethyl phosphate hplc |
| IUPAC Name | diethyl phosphate;1-ethyl-3-methylimidazol-3-ium |
| InChI Key | HQWOEDCLDNFWEV-UHFFFAOYSA-M |
| Molecular Formula | C10H21N2O4P |
Diethyl 1-propylphosphonate, 97%, Thermo Scientific Chemicals
CAS: 18812-51-6 Molecular Formula: C7H17O3P Molecular Weight (g/mol): 180.184 MDL Number: MFCD00015139 InChI Key: RUIKOPXSCCGLOM-UHFFFAOYSA-N Synonym: diethyl propylphosphonate,diethyl propanephosphonate,diethyl 1-propylphosphonate,phosphonic acid, propyl-, diethyl ester,diethyl 1-propanephosphonate,diethyl-n-propylphosphonate,diethoxypropylphosphine oxide,acmc-20al9i,diethyl n-propylphosphonate,1-diethoxyphosphoryl-propane PubChem CID: 140428 IUPAC Name: 1-diethoxyphosphorylpropane SMILES: CCCP(=O)(OCC)OCC
| PubChem CID | 140428 |
|---|---|
| CAS | 18812-51-6 |
| Molecular Weight (g/mol) | 180.184 |
| MDL Number | MFCD00015139 |
| SMILES | CCCP(=O)(OCC)OCC |
| Synonym | diethyl propylphosphonate,diethyl propanephosphonate,diethyl 1-propylphosphonate,phosphonic acid, propyl-, diethyl ester,diethyl 1-propanephosphonate,diethyl-n-propylphosphonate,diethoxypropylphosphine oxide,acmc-20al9i,diethyl n-propylphosphonate,1-diethoxyphosphoryl-propane |
| IUPAC Name | 1-diethoxyphosphorylpropane |
| InChI Key | RUIKOPXSCCGLOM-UHFFFAOYSA-N |
| Molecular Formula | C7H17O3P |
Ethyl 2-methyl-4-pentenoate, 98%
CAS: 53399-81-8 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00010235 InChI Key: BDBGKYIBDXAVMX-UHFFFAOYNA-N Synonym: ethyl 2-methyl-4-pentenoate,2-methyl-4-pentenoic acid ethyl ester,ethyl 2-methyl 4-pentenoate,4-pentenoic acid, 2-methyl-, ethyl ester,ethyl 2-methylpent-4-en-1-oate,ethyl 2-methyl-4-pentanoate,fema no. 3489,pineapple pentenoate,acmc-1ao14,ethyl-2-methyl-4-pentenoate PubChem CID: 62024 IUPAC Name: ethyl 2-methylpent-4-enoate SMILES: CCOC(=O)C(C)CC=C
| PubChem CID | 62024 |
|---|---|
| CAS | 53399-81-8 |
| Molecular Weight (g/mol) | 142.20 |
| MDL Number | MFCD00010235 |
| SMILES | CCOC(=O)C(C)CC=C |
| Synonym | ethyl 2-methyl-4-pentenoate,2-methyl-4-pentenoic acid ethyl ester,ethyl 2-methyl 4-pentenoate,4-pentenoic acid, 2-methyl-, ethyl ester,ethyl 2-methylpent-4-en-1-oate,ethyl 2-methyl-4-pentanoate,fema no. 3489,pineapple pentenoate,acmc-1ao14,ethyl-2-methyl-4-pentenoate |
| IUPAC Name | ethyl 2-methylpent-4-enoate |
| InChI Key | BDBGKYIBDXAVMX-UHFFFAOYNA-N |
| Molecular Formula | C8H14O2 |
Ethyl 2-cyano-2-methylpropionate, 97%
CAS: 1572-98-1 Molecular Formula: C7H11NO2 Molecular Weight (g/mol): 141.17 MDL Number: MFCD00034667 InChI Key: FYGRPGOHQCPZCV-UHFFFAOYSA-N PubChem CID: 344887 IUPAC Name: ethyl 2-cyano-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)C#N
| PubChem CID | 344887 |
|---|---|
| CAS | 1572-98-1 |
| Molecular Weight (g/mol) | 141.17 |
| MDL Number | MFCD00034667 |
| SMILES | CCOC(=O)C(C)(C)C#N |
| IUPAC Name | ethyl 2-cyano-2-methylpropanoate |
| InChI Key | FYGRPGOHQCPZCV-UHFFFAOYSA-N |
| Molecular Formula | C7H11NO2 |
2-tert-Butyl-trans-vinylboronic acid, 97%
CAS: 86595-37-1 Molecular Formula: C6H13BO2 Molecular Weight (g/mol): 127.978 MDL Number: MFCD01074624 InChI Key: CTIWKIMYFQSVBZ-SNAWJCMRSA-N Synonym: 3,3-dimethyl-1-butenylboronic acid,e-3,3-dimethylbut-1-en-1-yl boronic acid,2-t-butyl-e-vinylboronic acid,2-tert-butyl-e-vinylboronic acid,e-3,3-dimethylbut-1-enyl boronic acid,1-butenyl-3,3-dimethyboronic acid,1e-3,3-dimethylbut-1-en-1-ylboronic acid,boronic acid, b-3,3-dimethyl-1-buten-1-yl,3,3-dimethylbut-1-enylboronic acid PubChem CID: 5706775 IUPAC Name: [(E)-3,3-dimethylbut-1-enyl]boronic acid SMILES: B(C=CC(C)(C)C)(O)O
| PubChem CID | 5706775 |
|---|---|
| CAS | 86595-37-1 |
| Molecular Weight (g/mol) | 127.978 |
| MDL Number | MFCD01074624 |
| SMILES | B(C=CC(C)(C)C)(O)O |
| Synonym | 3,3-dimethyl-1-butenylboronic acid,e-3,3-dimethylbut-1-en-1-yl boronic acid,2-t-butyl-e-vinylboronic acid,2-tert-butyl-e-vinylboronic acid,e-3,3-dimethylbut-1-enyl boronic acid,1-butenyl-3,3-dimethyboronic acid,1e-3,3-dimethylbut-1-en-1-ylboronic acid,boronic acid, b-3,3-dimethyl-1-buten-1-yl,3,3-dimethylbut-1-enylboronic acid |
| IUPAC Name | [(E)-3,3-dimethylbut-1-enyl]boronic acid |
| InChI Key | CTIWKIMYFQSVBZ-SNAWJCMRSA-N |
| Molecular Formula | C6H13BO2 |
4-Methoxy-6-methyl-2H-pyran-2-one, 97%, Thermo Scientific Chemicals
CAS: 672-89-9 Molecular Formula: C7H8O3 Molecular Weight (g/mol): 140.14 MDL Number: MFCD00006640 InChI Key: MTZAUZNQAMNFME-UHFFFAOYSA-N Synonym: 4-methoxy-6-methyl-2h-pyran-2-one,methyltriacetolactone,methyltriacetolacton,2h-pyran-2-one, 4-methoxy-6-methyl,4-methoxy-6-methyl-pyran-2-one,methyltriacetolacton german,4-methoxy-6-methyl-2-pyrone,4mhp,wln: t6ovj do1 f1,4-methoxy-6-methyl-2-pyranone PubChem CID: 12651 IUPAC Name: 4-methoxy-6-methylpyran-2-one SMILES: COC1=CC(=O)OC(C)=C1
| PubChem CID | 12651 |
|---|---|
| CAS | 672-89-9 |
| Molecular Weight (g/mol) | 140.14 |
| MDL Number | MFCD00006640 |
| SMILES | COC1=CC(=O)OC(C)=C1 |
| Synonym | 4-methoxy-6-methyl-2h-pyran-2-one,methyltriacetolactone,methyltriacetolacton,2h-pyran-2-one, 4-methoxy-6-methyl,4-methoxy-6-methyl-pyran-2-one,methyltriacetolacton german,4-methoxy-6-methyl-2-pyrone,4mhp,wln: t6ovj do1 f1,4-methoxy-6-methyl-2-pyranone |
| IUPAC Name | 4-methoxy-6-methylpyran-2-one |
| InChI Key | MTZAUZNQAMNFME-UHFFFAOYSA-N |
| Molecular Formula | C7H8O3 |
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CAS: 628-63-7
| CAS | 628-63-7 |
|---|
Isoquinoline-5-boronic acid, 97%
CAS: 371766-08-4 Molecular Formula: C9H8BNO2 Molecular Weight (g/mol): 172.978 MDL Number: MFCD03839356 InChI Key: XKEYHBLSCGBBGU-UHFFFAOYSA-N Synonym: isoquinoline-5-boronic acid,5-isoquinolineboronic acid,isoquinolin-5-yl-5-boronic acid,boronic acid, 5-isoquinolinyl,isoquinolin-5-yl boronic acid,5-isoquinolineboronicacid,isoquinoline-5-boric acid,5-boronoisoquinoline,acmc-209ird,5-isoquinolylboronic acid PubChem CID: 599474 IUPAC Name: isoquinolin-5-ylboronic acid SMILES: B(C1=C2C=CN=CC2=CC=C1)(O)O
| PubChem CID | 599474 |
|---|---|
| CAS | 371766-08-4 |
| Molecular Weight (g/mol) | 172.978 |
| MDL Number | MFCD03839356 |
| SMILES | B(C1=C2C=CN=CC2=CC=C1)(O)O |
| Synonym | isoquinoline-5-boronic acid,5-isoquinolineboronic acid,isoquinolin-5-yl-5-boronic acid,boronic acid, 5-isoquinolinyl,isoquinolin-5-yl boronic acid,5-isoquinolineboronicacid,isoquinoline-5-boric acid,5-boronoisoquinoline,acmc-209ird,5-isoquinolylboronic acid |
| IUPAC Name | isoquinolin-5-ylboronic acid |
| InChI Key | XKEYHBLSCGBBGU-UHFFFAOYSA-N |
| Molecular Formula | C9H8BNO2 |
3,5-Dimethyladamantane-1-carboxylic acid, 97%
CAS: 14670-94-1 Molecular Formula: C13H19O2 Molecular Weight (g/mol): 207.29 MDL Number: MFCD00188067 InChI Key: BSWOQWGHXZTDOO-QGVZIFMBSA-M Synonym: 3,5-dimethyl-1-adamantanecarboxylic acid,1,3-dimethyladamantan-5-carboxylic acid,3,5-dimethyladamantanecarboxylic acid,maybridge1_002240,3,5-dimethyltricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3,5-dimethyl adamantane-1-carboxylic acid,acmc-20ancb,3,5-dimethyladamantane carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5-dimethyl PubChem CID: 2736224 IUPAC Name: 3,5-dimethyladamantane-1-carboxylic acid SMILES: C[C@@]12CC3C[C@@](C)(C1)CC(C3)(C2)C([O-])=O
| PubChem CID | 2736224 |
|---|---|
| CAS | 14670-94-1 |
| Molecular Weight (g/mol) | 207.29 |
| MDL Number | MFCD00188067 |
| SMILES | C[C@@]12CC3C[C@@](C)(C1)CC(C3)(C2)C([O-])=O |
| Synonym | 3,5-dimethyl-1-adamantanecarboxylic acid,1,3-dimethyladamantan-5-carboxylic acid,3,5-dimethyladamantanecarboxylic acid,maybridge1_002240,3,5-dimethyltricyclo 3.3.1.1∼3,7∼ decane-1-carboxylic acid,3,5-dimethyl adamantane-1-carboxylic acid,acmc-20ancb,3,5-dimethyladamantane carboxylic acid,tricyclo 3.3.1.13,7 decane-1-carboxylicacid, 3,5-dimethyl |
| IUPAC Name | 3,5-dimethyladamantane-1-carboxylic acid |
| InChI Key | BSWOQWGHXZTDOO-QGVZIFMBSA-M |
| Molecular Formula | C13H19O2 |
3-Aminobenzeneboronic acid monohydrate, 97%
CAS: 206658-89-1 Molecular Formula: C6H10BNO3 Molecular Weight (g/mol): 154.96 MDL Number: MFCD00149554 InChI Key: XAEOVQODHLLNKX-UHFFFAOYSA-N Synonym: 3-aminophenylboronic acid monohydrate,3-aminophenyl boronic acid hydrate,3-aminophenylboronic acid hydrate,3-aminobenzeneboronic acid monohydrate,m-aminophenylboronic acid hydrate,boronic acid, 3-aminophenyl-, monohydrate,3-aminobenzeneboronic acid hydrate,pubchem4016,acmc-1cfgg,3-boronoaniline monohydrate PubChem CID: 14389423 IUPAC Name: (3-aminophenyl)boronic acid;hydrate SMILES: O.NC1=CC=CC(=C1)B(O)O
| PubChem CID | 14389423 |
|---|---|
| CAS | 206658-89-1 |
| Molecular Weight (g/mol) | 154.96 |
| MDL Number | MFCD00149554 |
| SMILES | O.NC1=CC=CC(=C1)B(O)O |
| Synonym | 3-aminophenylboronic acid monohydrate,3-aminophenyl boronic acid hydrate,3-aminophenylboronic acid hydrate,3-aminobenzeneboronic acid monohydrate,m-aminophenylboronic acid hydrate,boronic acid, 3-aminophenyl-, monohydrate,3-aminobenzeneboronic acid hydrate,pubchem4016,acmc-1cfgg,3-boronoaniline monohydrate |
| IUPAC Name | (3-aminophenyl)boronic acid;hydrate |
| InChI Key | XAEOVQODHLLNKX-UHFFFAOYSA-N |
| Molecular Formula | C6H10BNO3 |