Organic acids and derivatives
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Tributyl citrate, 99+%
CAS: 77-94-1 Molecular Formula: C18H32O7 Molecular Weight (g/mol): 360.45 MDL Number: MFCD00027217 InChI Key: ZFOZVQLOBQUTQQ-UHFFFAOYSA-N Synonym: tributyl citrate,butyl citrate,tri-n-butyl citrate,n-butyl citrate,citroflex 4,citric acid, tributyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, tributyl ester,butyl citrate van,unii-827d5b1b6s,2-hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester PubChem CID: 6507 IUPAC Name: tributyl 2-hydroxypropane-1,2,3-tricarboxylate SMILES: CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC
| PubChem CID | 6507 |
|---|---|
| CAS | 77-94-1 |
| Molecular Weight (g/mol) | 360.45 |
| MDL Number | MFCD00027217 |
| SMILES | CCCCOC(=O)CC(O)(CC(=O)OCCCC)C(=O)OCCCC |
| Synonym | tributyl citrate,butyl citrate,tri-n-butyl citrate,n-butyl citrate,citroflex 4,citric acid, tributyl ester,1,2,3-propanetricarboxylic acid, 2-hydroxy-, tributyl ester,butyl citrate van,unii-827d5b1b6s,2-hydroxy-1,2,3-propanetricarboxylic acid, tributyl ester |
| IUPAC Name | tributyl 2-hydroxypropane-1,2,3-tricarboxylate |
| InChI Key | ZFOZVQLOBQUTQQ-UHFFFAOYSA-N |
| Molecular Formula | C18H32O7 |
Diethyl phosphate, 96%
CAS: 598-02-7 Molecular Formula: C4H11O4P Molecular Weight (g/mol): 154.1 InChI Key: UCQFCFPECQILOL-UHFFFAOYSA-N Synonym: diethyl phosphate,diethyl acid phosphate,phosphoric acid, diethyl ester,diethyl phosphoric acid,diethylphosphate,diethylphosphoric acid,ethyl phosphate, di,o,o-diethyl hydrogen phosphate,ethyl phosphate, eto 2 ho po,o,o-diethylphosphoric acid PubChem CID: 654 ChEBI: CHEBI:27708 IUPAC Name: diethyl hydrogen phosphate SMILES: CCOP(=O)(O)OCC
| PubChem CID | 654 |
|---|---|
| CAS | 598-02-7 |
| Molecular Weight (g/mol) | 154.1 |
| ChEBI | CHEBI:27708 |
| SMILES | CCOP(=O)(O)OCC |
| Synonym | diethyl phosphate,diethyl acid phosphate,phosphoric acid, diethyl ester,diethyl phosphoric acid,diethylphosphate,diethylphosphoric acid,ethyl phosphate, di,o,o-diethyl hydrogen phosphate,ethyl phosphate, eto 2 ho po,o,o-diethylphosphoric acid |
| IUPAC Name | diethyl hydrogen phosphate |
| InChI Key | UCQFCFPECQILOL-UHFFFAOYSA-N |
| Molecular Formula | C4H11O4P |
1,2-Bis(2-aminophenoxy)-ethane-N,N,N',N'-tetraacetic acid, tetrasodium salt hydrate, 95%
CAS: 336624-09-0 Molecular Formula: C22H20N2Na4O10 Molecular Weight (g/mol): 564.37 MDL Number: MFCD02683087 InChI Key: ZWSMLJACYSGFKD-UHFFFAOYSA-J Synonym: BAPTA tetrasodium salt IUPAC Name: tetrasodium 2-{[2-(2-{2-[bis(carboxylatomethyl)amino]phenoxy}ethoxy)phenyl](carboxylatomethyl)amino}acetate SMILES: [Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)C1=C(OCCOC2=C(C=CC=C2)N(CC([O-])=O)CC([O-])=O)C=CC=C1
| CAS | 336624-09-0 |
|---|---|
| Molecular Weight (g/mol) | 564.37 |
| MDL Number | MFCD02683087 |
| SMILES | [Na+].[Na+].[Na+].[Na+].[O-]C(=O)CN(CC([O-])=O)C1=C(OCCOC2=C(C=CC=C2)N(CC([O-])=O)CC([O-])=O)C=CC=C1 |
| Synonym | BAPTA tetrasodium salt |
| IUPAC Name | tetrasodium 2-{[2-(2-{2-[bis(carboxylatomethyl)amino]phenoxy}ethoxy)phenyl](carboxylatomethyl)amino}acetate |
| InChI Key | ZWSMLJACYSGFKD-UHFFFAOYSA-J |
| Molecular Formula | C22H20N2Na4O10 |
Cyclopropylacetic acid, 97%
CAS: 5239-82-7 Molecular Formula: C5H8O22 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00041544 InChI Key: BXXOHRWKRXBZTG-UHFFFAOYSA-N Synonym: cyclopropylacetic acid,cyclopropaneacetic acid,cyclopropyl acetic acid,cyclopropyl-acetic acid,carboxymethyl cyclopropane,2-cyclopropyl-acetic acid,2-cyclopropylethanoic acid,acetic cyclopropyl acid,pubchem19703,2-cyclopropyl acetic acid PubChem CID: 138440 IUPAC Name: 2-cyclopropylacetic acid SMILES: CN1CCN(C)B1N=S=NB1N(C)CCN1C
| PubChem CID | 138440 |
|---|---|
| CAS | 5239-82-7 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00041544 |
| SMILES | CN1CCN(C)B1N=S=NB1N(C)CCN1C |
| Synonym | cyclopropylacetic acid,cyclopropaneacetic acid,cyclopropyl acetic acid,cyclopropyl-acetic acid,carboxymethyl cyclopropane,2-cyclopropyl-acetic acid,2-cyclopropylethanoic acid,acetic cyclopropyl acid,pubchem19703,2-cyclopropyl acetic acid |
| IUPAC Name | 2-cyclopropylacetic acid |
| InChI Key | BXXOHRWKRXBZTG-UHFFFAOYSA-N |
| Molecular Formula | C5H8O22 |
Trimethyl citrate
Molecular Formula: C9H14O7 Molecular Weight (g/mol): 234.2 InChI Key: HDDLVZWGOPWKFW-UHFFFAOYSA-N PubChem CID: 74112
| PubChem CID | 74112 |
|---|---|
| Molecular Weight (g/mol) | 234.2 |
| InChI Key | HDDLVZWGOPWKFW-UHFFFAOYSA-N |
| Molecular Formula | C9H14O7 |
Ethylboronic acid, 95%
CAS: 4433-63-0 Molecular Formula: C2H7BO2 Molecular Weight (g/mol): 73.89 MDL Number: MFCD01074536 InChI Key: PAVZHTXVORCEHP-UHFFFAOYSA-N Synonym: boronic acid, ethyl,ethaneboronic acid,ethyldihydroxyborane,ethyl boronic acid,boronic acid, ethyl-9ci,ethylboronicacid,pubchem7960,ethylboric acid,etb oh 2 PubChem CID: 521157 IUPAC Name: ethylboronic acid SMILES: CCB(O)O
| PubChem CID | 521157 |
|---|---|
| CAS | 4433-63-0 |
| Molecular Weight (g/mol) | 73.89 |
| MDL Number | MFCD01074536 |
| SMILES | CCB(O)O |
| Synonym | boronic acid, ethyl,ethaneboronic acid,ethyldihydroxyborane,ethyl boronic acid,boronic acid, ethyl-9ci,ethylboronicacid,pubchem7960,ethylboric acid,etb oh 2 |
| IUPAC Name | ethylboronic acid |
| InChI Key | PAVZHTXVORCEHP-UHFFFAOYSA-N |
| Molecular Formula | C2H7BO2 |
Tetraisopropyl methylenediphosphonate, 98%
CAS: 1660-95-3 Molecular Formula: C13H30O6P2 Molecular Weight (g/mol): 344.325 MDL Number: MFCD00015021 InChI Key: ODTQUKVFOLFLIQ-UHFFFAOYSA-N Synonym: tetraisopropyl methylenediphosphonate,phosphonic acid, methylenebis-, tetrakis 1-methylethyl ester,tetraisopropyl methylenebisphosphonate,unii-k46y5v9u61,tetraisopropyl methylenebis phosphonate,methylenediphosphonic acid tetraisopropyl ester,tetra-i-propylmethylenediphosphonate,2-di propan-2-yloxy phosphorylmethyl-propan-2-yloxyphosphoryl oxypropane,phosphonic acid, p,p'-methylenebis-, p,p,p',p'-tetrakis 1-methylethyl ester,dsstox_cid_24847 PubChem CID: 74266 IUPAC Name: 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane SMILES: CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C
| PubChem CID | 74266 |
|---|---|
| CAS | 1660-95-3 |
| Molecular Weight (g/mol) | 344.325 |
| MDL Number | MFCD00015021 |
| SMILES | CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C |
| Synonym | tetraisopropyl methylenediphosphonate,phosphonic acid, methylenebis-, tetrakis 1-methylethyl ester,tetraisopropyl methylenebisphosphonate,unii-k46y5v9u61,tetraisopropyl methylenebis phosphonate,methylenediphosphonic acid tetraisopropyl ester,tetra-i-propylmethylenediphosphonate,2-di propan-2-yloxy phosphorylmethyl-propan-2-yloxyphosphoryl oxypropane,phosphonic acid, p,p'-methylenebis-, p,p,p',p'-tetrakis 1-methylethyl ester,dsstox_cid_24847 |
| IUPAC Name | 2-[di(propan-2-yloxy)phosphorylmethyl-propan-2-yloxyphosphoryl]oxypropane |
| InChI Key | ODTQUKVFOLFLIQ-UHFFFAOYSA-N |
| Molecular Formula | C13H30O6P2 |
2-Nitrobenzamide, 98%
CAS: 610-15-1 Molecular Formula: C7H6N2O3 Molecular Weight (g/mol): 166.136 MDL Number: MFCD00007976 InChI Key: KLGQWSOYKYFBTR-UHFFFAOYSA-N Synonym: o-nitrobenzamide,benzamide, o-nitro,benzamide, 2-nitro,2-carbamoylnitrobenzene,nitrobenzamide,nitro-benzamide,2-nitro-benzamide,benzamide,2-nitro,benzmide, 2-nitro,wln: zvr bnw PubChem CID: 11876 IUPAC Name: 2-nitrobenzamide SMILES: C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-]
| PubChem CID | 11876 |
|---|---|
| CAS | 610-15-1 |
| Molecular Weight (g/mol) | 166.136 |
| MDL Number | MFCD00007976 |
| SMILES | C1=CC=C(C(=C1)C(=O)N)[N+](=O)[O-] |
| Synonym | o-nitrobenzamide,benzamide, o-nitro,benzamide, 2-nitro,2-carbamoylnitrobenzene,nitrobenzamide,nitro-benzamide,2-nitro-benzamide,benzamide,2-nitro,benzmide, 2-nitro,wln: zvr bnw |
| IUPAC Name | 2-nitrobenzamide |
| InChI Key | KLGQWSOYKYFBTR-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2O3 |
3-(2-Methoxyphenyl)propionic acid, 98+%
CAS: 6342-77-4 Molecular Formula: C10H12O3 Molecular Weight (g/mol): 180.203 MDL Number: MFCD00002772 InChI Key: XSZSNLOPIWWFHS-UHFFFAOYSA-N Synonym: 3-2-methoxyphenyl propanoic acid,3-2-methoxyphenyl propionic acid,2-methoxyhydrocinnamic acid,benzenepropanoic acid, 2-methoxy,o-methoxyhydrocinnamic acid,3-o-methoxyphenyl propionic acid,2-methoxy-benzenepropanoic acid,beta-o-methoxyphenyl propionic acid,acmc-209nfi,maybridge1_000611 PubChem CID: 80652 IUPAC Name: 3-(2-methoxyphenyl)propanoic acid SMILES: COC1=CC=CC=C1CCC(=O)O
| PubChem CID | 80652 |
|---|---|
| CAS | 6342-77-4 |
| Molecular Weight (g/mol) | 180.203 |
| MDL Number | MFCD00002772 |
| SMILES | COC1=CC=CC=C1CCC(=O)O |
| Synonym | 3-2-methoxyphenyl propanoic acid,3-2-methoxyphenyl propionic acid,2-methoxyhydrocinnamic acid,benzenepropanoic acid, 2-methoxy,o-methoxyhydrocinnamic acid,3-o-methoxyphenyl propionic acid,2-methoxy-benzenepropanoic acid,beta-o-methoxyphenyl propionic acid,acmc-209nfi,maybridge1_000611 |
| IUPAC Name | 3-(2-methoxyphenyl)propanoic acid |
| InChI Key | XSZSNLOPIWWFHS-UHFFFAOYSA-N |
| Molecular Formula | C10H12O3 |
Ethyl mercaptoacetate, 98+%
CAS: 623-51-8 Molecular Formula: C4H8O2S Molecular Weight (g/mol): 120.166 MDL Number: MFCD00004874 InChI Key: PVBRSNZAOAJRKO-UHFFFAOYSA-N Synonym: ethyl thioglycolate,ethyl mercaptoacetate,ethyl 2-mercaptoacetate,mercaptoacetic acid ethyl ester,ethyl thioglycollate,acetic acid, mercapto-, ethyl ester,thioglycolic acid ethyl ester,ethyl mercaptoacetic acid,usaf ek-2070,acetic acid, 2-mercapto-, ethyl ester PubChem CID: 12185 IUPAC Name: ethyl 2-sulfanylacetate SMILES: CCOC(=O)CS
| PubChem CID | 12185 |
|---|---|
| CAS | 623-51-8 |
| Molecular Weight (g/mol) | 120.166 |
| MDL Number | MFCD00004874 |
| SMILES | CCOC(=O)CS |
| Synonym | ethyl thioglycolate,ethyl mercaptoacetate,ethyl 2-mercaptoacetate,mercaptoacetic acid ethyl ester,ethyl thioglycollate,acetic acid, mercapto-, ethyl ester,thioglycolic acid ethyl ester,ethyl mercaptoacetic acid,usaf ek-2070,acetic acid, 2-mercapto-, ethyl ester |
| IUPAC Name | ethyl 2-sulfanylacetate |
| InChI Key | PVBRSNZAOAJRKO-UHFFFAOYSA-N |
| Molecular Formula | C4H8O2S |
| CAS | 6282-02-6 |
|---|---|
| MDL Number | MFCD00014415 |
Mercury(II) acetate, 98+%
CAS: 1600-27-7 Molecular Formula: C4H6HgO4 Molecular Weight (g/mol): 318.68 MDL Number: MFCD00012165 InChI Key: BRMYZIKAHFEUFJ-UHFFFAOYSA-L Synonym: mercury 2+ ion acetic acid PubChem CID: 15337 ChEBI: CHEBI:33211 IUPAC Name: mercury(2+);diacetate SMILES: CC(=O)[O-].CC(=O)[O-].[Hg+2]
| PubChem CID | 15337 |
|---|---|
| CAS | 1600-27-7 |
| Molecular Weight (g/mol) | 318.68 |
| ChEBI | CHEBI:33211 |
| MDL Number | MFCD00012165 |
| SMILES | CC(=O)[O-].CC(=O)[O-].[Hg+2] |
| Synonym | mercury 2+ ion acetic acid |
| IUPAC Name | mercury(2+);diacetate |
| InChI Key | BRMYZIKAHFEUFJ-UHFFFAOYSA-L |
| Molecular Formula | C4H6HgO4 |
Dimethyl 2-hydroxyethylphosphonate, 95%, Thermo Scientific Chemicals
CAS: 54731-72-5 Molecular Formula: C4H11O4P Molecular Weight (g/mol): 154.10 MDL Number: MFCD00043376 InChI Key: TZPPDWDHNIMTDQ-UHFFFAOYSA-N Synonym: dimethyl 2-hydroxyethylphosphonate,dimethyl 2-hydroxyethyl phosphonate,2-hydroxyethylphosphonic acid dimethyl ester,2-hydroxyethyl phosphonic acid dimethyl ester,acmc-1ao1t,2-diethylphosphono ethan-1-ol,tzppdwdhnimtdq-uhfffaoysa,hydroxyethyldimethylphosphonic acid,2-dimethoxyphosphoryl ethan-1-ol PubChem CID: 2733833 IUPAC Name: 2-dimethoxyphosphorylethanol SMILES: COP(=O)(CCO)OC
| PubChem CID | 2733833 |
|---|---|
| CAS | 54731-72-5 |
| Molecular Weight (g/mol) | 154.10 |
| MDL Number | MFCD00043376 |
| SMILES | COP(=O)(CCO)OC |
| Synonym | dimethyl 2-hydroxyethylphosphonate,dimethyl 2-hydroxyethyl phosphonate,2-hydroxyethylphosphonic acid dimethyl ester,2-hydroxyethyl phosphonic acid dimethyl ester,acmc-1ao1t,2-diethylphosphono ethan-1-ol,tzppdwdhnimtdq-uhfffaoysa,hydroxyethyldimethylphosphonic acid,2-dimethoxyphosphoryl ethan-1-ol |
| IUPAC Name | 2-dimethoxyphosphorylethanol |
| InChI Key | TZPPDWDHNIMTDQ-UHFFFAOYSA-N |
| Molecular Formula | C4H11O4P |
Vinylboronic acid pinacol ester, 97+%, stabilized with 0.05% BHT
CAS: 75927-49-0 Molecular Formula: C8H15BO2 Molecular Weight (g/mol): 154.02 MDL Number: MFCD00192492 InChI Key: DPGSPRJLAZGUBQ-UHFFFAOYSA-N Synonym: vinylboronic acid pinacol ester,4,4,5,5-tetramethyl-2-vinyl-1,3,2-dioxaborolane,vinylboronic acid pinacol cyclic ester,2-vinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,1,3,2-dioxaborolane, 2-ethenyl-4,4,5,5-tetramethyl,pinacol vinylboronate, stabilized with bht,2-vinyl-4,4,5,5-tetramethyl-1,3,2-dioxaoborolane,vbpe,pubchem23743,ethenylboronic acid pinacol ester PubChem CID: 5233012 IUPAC Name: 2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C=C
| PubChem CID | 5233012 |
|---|---|
| CAS | 75927-49-0 |
| Molecular Weight (g/mol) | 154.02 |
| MDL Number | MFCD00192492 |
| SMILES | CC1(C)OB(OC1(C)C)C=C |
| Synonym | vinylboronic acid pinacol ester,4,4,5,5-tetramethyl-2-vinyl-1,3,2-dioxaborolane,vinylboronic acid pinacol cyclic ester,2-vinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,1,3,2-dioxaborolane, 2-ethenyl-4,4,5,5-tetramethyl,pinacol vinylboronate, stabilized with bht,2-vinyl-4,4,5,5-tetramethyl-1,3,2-dioxaoborolane,vbpe,pubchem23743,ethenylboronic acid pinacol ester |
| IUPAC Name | 2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | DPGSPRJLAZGUBQ-UHFFFAOYSA-N |
| Molecular Formula | C8H15BO2 |
4-Biphenylboronic acid, 97%
CAS: 5122-94-1 Molecular Formula: C12H11BO2 Molecular Weight (g/mol): 198.03 MDL Number: MFCD00093311 InChI Key: XPEIJWZLPWNNOK-UHFFFAOYSA-N Synonym: 4-biphenylboronic acid,1,1'-biphenyl-4-ylboronic acid,biphenyl-4-boronic acid,4-biphenyl boronic acid,biphenylboronic acid,4-phenylphenyl boranediol,4-phenylphenyl boronic acid,biphenyl-4-ylboronic acid,1,1'-biphenyl-4-yl-boronic acid,4-phenylbenzeneboronic acid PubChem CID: 151253 IUPAC Name: (4-phenylphenyl)boronic acid SMILES: OB(O)C1=CC=C(C=C1)C1=CC=CC=C1
| PubChem CID | 151253 |
|---|---|
| CAS | 5122-94-1 |
| Molecular Weight (g/mol) | 198.03 |
| MDL Number | MFCD00093311 |
| SMILES | OB(O)C1=CC=C(C=C1)C1=CC=CC=C1 |
| Synonym | 4-biphenylboronic acid,1,1'-biphenyl-4-ylboronic acid,biphenyl-4-boronic acid,4-biphenyl boronic acid,biphenylboronic acid,4-phenylphenyl boranediol,4-phenylphenyl boronic acid,biphenyl-4-ylboronic acid,1,1'-biphenyl-4-yl-boronic acid,4-phenylbenzeneboronic acid |
| IUPAC Name | (4-phenylphenyl)boronic acid |
| InChI Key | XPEIJWZLPWNNOK-UHFFFAOYSA-N |
| Molecular Formula | C12H11BO2 |