Organic acids and derivatives
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2-Sulfobenzoic anhydride, 94%
CAS: 81-08-3 Molecular Formula: C7H4O4S Molecular Weight (g/mol): 184.165 MDL Number: MFCD00005879 InChI Key: NCYNKWQXFADUOZ-UHFFFAOYSA-N Synonym: 2-sulfobenzoic anhydride,2-sulfobenzoic acid cyclic anhydride,sulfobenzoic anhydride,o-sulfobenzoic acid anhydride,3h-2,1-benzoxathiol-3-one, 1,1-dioxide,3h-benzo c 1,2 oxathiol-3-one 1,1-dioxide,unii-0swh68iq5w,o-sulfobenzoic acid, cyclic anhydride,2,1-benzoxathiol-3-one-1,1-dioxide,0swh68iq5w PubChem CID: 65729 IUPAC Name: 1,1-dioxo-2,1$l^{6}-benzoxathiol-3-one SMILES: C1=CC=C2C(=C1)C(=O)OS2(=O)=O
| PubChem CID | 65729 |
|---|---|
| CAS | 81-08-3 |
| Molecular Weight (g/mol) | 184.165 |
| MDL Number | MFCD00005879 |
| SMILES | C1=CC=C2C(=C1)C(=O)OS2(=O)=O |
| Synonym | 2-sulfobenzoic anhydride,2-sulfobenzoic acid cyclic anhydride,sulfobenzoic anhydride,o-sulfobenzoic acid anhydride,3h-2,1-benzoxathiol-3-one, 1,1-dioxide,3h-benzo c 1,2 oxathiol-3-one 1,1-dioxide,unii-0swh68iq5w,o-sulfobenzoic acid, cyclic anhydride,2,1-benzoxathiol-3-one-1,1-dioxide,0swh68iq5w |
| IUPAC Name | 1,1-dioxo-2,1$l^{6}-benzoxathiol-3-one |
| InChI Key | NCYNKWQXFADUOZ-UHFFFAOYSA-N |
| Molecular Formula | C7H4O4S |
Isobutyramide, 99%
CAS: 563-83-7 Molecular Formula: C4H9NO Molecular Weight (g/mol): 87.122 MDL Number: MFCD00008019 InChI Key: WFKAJVHLWXSISD-UHFFFAOYSA-N Synonym: isobutyramide,propanamide, 2-methyl,2-methylpropionamide,isobutyrimidic acid,isobutylamide,isopropylformamide,dimethylacetoamide,unii-82uoe7b38z,dimethylacetamid,c-isopropylformamide PubChem CID: 68424 IUPAC Name: 2-methylpropanamide SMILES: CC(C)C(=O)N
| PubChem CID | 68424 |
|---|---|
| CAS | 563-83-7 |
| Molecular Weight (g/mol) | 87.122 |
| MDL Number | MFCD00008019 |
| SMILES | CC(C)C(=O)N |
| Synonym | isobutyramide,propanamide, 2-methyl,2-methylpropionamide,isobutyrimidic acid,isobutylamide,isopropylformamide,dimethylacetoamide,unii-82uoe7b38z,dimethylacetamid,c-isopropylformamide |
| IUPAC Name | 2-methylpropanamide |
| InChI Key | WFKAJVHLWXSISD-UHFFFAOYSA-N |
| Molecular Formula | C4H9NO |
O-Methylisourea hemisulfate, 94%
CAS: 52328-05-9 Molecular Formula: 0·5 H2SO4 Molecular Weight (g/mol): 123.12 MDL Number: MFCD00040594 InChI Key: QSCPQKVWSNUJLJ-UHFFFAOYSA-N Synonym: o-methylisourea hemisulfate,2-methylisouronium sulfate,o-methylisourea hemisulfate salt,bis methoxymethanimidamide ; sulfuric acid,carbamimidic acid, methyl ester, sulfate 2:1,omi™,o-methylpseudourea sulfate,0-methylisourea hemisulfate,o-methylisourea hemisulphate,bis 2-methylisouronium sulphate PubChem CID: 11357018 IUPAC Name: methyl carbamimidate;sulfuric acid SMILES: COC(=N)N.COC(=N)N.OS(=O)(=O)O
| PubChem CID | 11357018 |
|---|---|
| CAS | 52328-05-9 |
| Molecular Weight (g/mol) | 123.12 |
| MDL Number | MFCD00040594 |
| SMILES | COC(=N)N.COC(=N)N.OS(=O)(=O)O |
| Synonym | o-methylisourea hemisulfate,2-methylisouronium sulfate,o-methylisourea hemisulfate salt,bis methoxymethanimidamide ; sulfuric acid,carbamimidic acid, methyl ester, sulfate 2:1,omi™,o-methylpseudourea sulfate,0-methylisourea hemisulfate,o-methylisourea hemisulphate,bis 2-methylisouronium sulphate |
| IUPAC Name | methyl carbamimidate;sulfuric acid |
| InChI Key | QSCPQKVWSNUJLJ-UHFFFAOYSA-N |
| Molecular Formula | 0·5 H2SO4 |
Potassium Sodium Tartrate, Tetrahydrate, Granular, USP, 99-102%, Spectrum™ Chemical
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CAS: 6381-59-5 Molecular Formula: C4H12KNaO10 Molecular Weight (g/mol): 282.22 InChI Key: VZOPRCCTKLAGPN-ZFJVMAEJSA-L IUPAC Name: potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate SMILES: O.O.O.O.[Na+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O
| CAS | 6381-59-5 |
|---|---|
| Molecular Weight (g/mol) | 282.22 |
| SMILES | O.O.O.O.[Na+].[K+].O[C@H]([C@@H](O)C([O-])=O)C([O-])=O |
| IUPAC Name | potassium sodium (2R,3R)-2,3-dihydroxybutanedioate tetrahydrate |
| InChI Key | VZOPRCCTKLAGPN-ZFJVMAEJSA-L |
| Molecular Formula | C4H12KNaO10 |
(2-Methylpropyl)boronic acid, 95+%
CAS: 84110-40-7 Molecular Formula: C4H11BO2 Molecular Weight (g/mol): 101.94 MDL Number: MFCD00134156 InChI Key: ZAZPDOYUCVFPOI-UHFFFAOYSA-N Synonym: isobutylboronic acid,isobutaneboronic acid,2-methylpropyl boronic acid,1-isobutaneboronic acid,2-methylpropaneboronic acid,2-methylprop-1-ylboronic acid,unii-khx76h7jhz,khx76h7jhz,2-methyl-1-propylboronic acid,2-methyl-1-propaneboronic acid PubChem CID: 2734395 IUPAC Name: 2-methylpropylboronic acid SMILES: CC(C)CB(O)O
| PubChem CID | 2734395 |
|---|---|
| CAS | 84110-40-7 |
| Molecular Weight (g/mol) | 101.94 |
| MDL Number | MFCD00134156 |
| SMILES | CC(C)CB(O)O |
| Synonym | isobutylboronic acid,isobutaneboronic acid,2-methylpropyl boronic acid,1-isobutaneboronic acid,2-methylpropaneboronic acid,2-methylprop-1-ylboronic acid,unii-khx76h7jhz,khx76h7jhz,2-methyl-1-propylboronic acid,2-methyl-1-propaneboronic acid |
| IUPAC Name | 2-methylpropylboronic acid |
| InChI Key | ZAZPDOYUCVFPOI-UHFFFAOYSA-N |
| Molecular Formula | C4H11BO2 |
2,2,2-Trifluoroacetamide, 97%
CAS: 354-38-1 Molecular Formula: C2H2F3NO Molecular Weight (g/mol): 113.04 MDL Number: MFCD00008008 InChI Key: NRKYWOKHZRQRJR-UHFFFAOYSA-N Synonym: trifluoroacetamide,acetamide, 2,2,2-trifluoro,unii-36mu16byfk,n-trifluoroacetamide,2,2,2-trifluoro-acetamide,36mu16byfk,trifluroacetamide,trifluoro-acetamide,snylgqhjptadtaetp@,pubchem12622 PubChem CID: 67717 IUPAC Name: 2,2,2-trifluoroacetamide SMILES: NC(=O)C(F)(F)F
| PubChem CID | 67717 |
|---|---|
| CAS | 354-38-1 |
| Molecular Weight (g/mol) | 113.04 |
| MDL Number | MFCD00008008 |
| SMILES | NC(=O)C(F)(F)F |
| Synonym | trifluoroacetamide,acetamide, 2,2,2-trifluoro,unii-36mu16byfk,n-trifluoroacetamide,2,2,2-trifluoro-acetamide,36mu16byfk,trifluroacetamide,trifluoro-acetamide,snylgqhjptadtaetp@,pubchem12622 |
| IUPAC Name | 2,2,2-trifluoroacetamide |
| InChI Key | NRKYWOKHZRQRJR-UHFFFAOYSA-N |
| Molecular Formula | C2H2F3NO |
Thioglycolic acid, 99.94%, Bacteriological grade, MP Biomedicals™
CAS: 367-51-1 Molecular Formula: C2H3NaO2S Molecular Weight (g/mol): 114.094 InChI Key: GNBVPFITFYNRCN-UHFFFAOYSA-M Synonym: sodium thioglycolate,sodium mercaptoacetate,mercaptoacetic acid sodium salt,mollescal sf,sodium 2-sulfanylacetate,thioglycolate sodium,sodium thioglycollate,mercaptoacetic acid, sodium salt,erhavit d,sodium 2-mercatoethanoate PubChem CID: 23690444 ChEBI: CHEBI:86481 IUPAC Name: sodium;2-sulfanylacetate SMILES: C(C(=O)[O-])S.[Na+]
| PubChem CID | 23690444 |
|---|---|
| CAS | 367-51-1 |
| Molecular Weight (g/mol) | 114.094 |
| ChEBI | CHEBI:86481 |
| SMILES | C(C(=O)[O-])S.[Na+] |
| Synonym | sodium thioglycolate,sodium mercaptoacetate,mercaptoacetic acid sodium salt,mollescal sf,sodium 2-sulfanylacetate,thioglycolate sodium,sodium thioglycollate,mercaptoacetic acid, sodium salt,erhavit d,sodium 2-mercatoethanoate |
| IUPAC Name | sodium;2-sulfanylacetate |
| InChI Key | GNBVPFITFYNRCN-UHFFFAOYSA-M |
| Molecular Formula | C2H3NaO2S |
Sodium phosphonoformate hexahydrate, 98+%
CAS: 34156-56-4 Molecular Formula: CH12Na3O11P Molecular Weight (g/mol): 300.04 MDL Number: MFCD00150176 InChI Key: ILRVASBWNRYBFD-UHFFFAOYSA-K Synonym: foscarnet sodium hexahydrate,sodium phosphonatoformate hexahydrate,unii-964ys0oog1,foscarnet trisodium hexahydrate,phosphonoformic acid trisodium salt hexahydrate,trisodium phosphonoformte hexahydrate,sodium phosphonoformate tribasic hexahydrate,phosphonoformic acid, trisodium salt, hexahydrate,trisodium foscarnet 3-hexahydrate,formic acid, phosphono-, trisodium salt, hexahydrate PubChem CID: 169569 ChEBI: CHEBI:60269 SMILES: O.O.O.O.O.O.[Na+].[Na+].[Na+].[O-]C(=O)P([O-])([O-])=O
| PubChem CID | 169569 |
|---|---|
| CAS | 34156-56-4 |
| Molecular Weight (g/mol) | 300.04 |
| ChEBI | CHEBI:60269 |
| MDL Number | MFCD00150176 |
| SMILES | O.O.O.O.O.O.[Na+].[Na+].[Na+].[O-]C(=O)P([O-])([O-])=O |
| Synonym | foscarnet sodium hexahydrate,sodium phosphonatoformate hexahydrate,unii-964ys0oog1,foscarnet trisodium hexahydrate,phosphonoformic acid trisodium salt hexahydrate,trisodium phosphonoformte hexahydrate,sodium phosphonoformate tribasic hexahydrate,phosphonoformic acid, trisodium salt, hexahydrate,trisodium foscarnet 3-hexahydrate,formic acid, phosphono-, trisodium salt, hexahydrate |
| InChI Key | ILRVASBWNRYBFD-UHFFFAOYSA-K |
| Molecular Formula | CH12Na3O11P |
4-Ethoxybenzeneboronic acid, 98%
CAS: 22237-13-4 Molecular Formula: C8H11BO3 Molecular Weight (g/mol): 165.983 MDL Number: MFCD00674028 InChI Key: WRQNDLDUNQMTCL-UHFFFAOYSA-N Synonym: 4-ethoxybenzeneboronic acid,4-ethoxyphenyl boronic acid,4-ethoxyphenyl boranediol,p-ethoxyphenylboronic acid,4-n-ethoxyphenyl boronic acid,boronic acid, 4-ethoxyphenyl,4-ethoxybenzeneboronicacid,4-ethoxyphenylboronicacid,4-ethoxyphenylboronic PubChem CID: 2734351 IUPAC Name: (4-ethoxyphenyl)boronic acid SMILES: B(C1=CC=C(C=C1)OCC)(O)O
| PubChem CID | 2734351 |
|---|---|
| CAS | 22237-13-4 |
| Molecular Weight (g/mol) | 165.983 |
| MDL Number | MFCD00674028 |
| SMILES | B(C1=CC=C(C=C1)OCC)(O)O |
| Synonym | 4-ethoxybenzeneboronic acid,4-ethoxyphenyl boronic acid,4-ethoxyphenyl boranediol,p-ethoxyphenylboronic acid,4-n-ethoxyphenyl boronic acid,boronic acid, 4-ethoxyphenyl,4-ethoxybenzeneboronicacid,4-ethoxyphenylboronicacid,4-ethoxyphenylboronic |
| IUPAC Name | (4-ethoxyphenyl)boronic acid |
| InChI Key | WRQNDLDUNQMTCL-UHFFFAOYSA-N |
| Molecular Formula | C8H11BO3 |
Methyl alpha-bromophenylacetate, 97+%
CAS: 3042-81-7 Molecular Formula: C9H9BrO2 Molecular Weight (g/mol): 229.07 MDL Number: MFCD00013535 InChI Key: NHFBYYMNJUMVOT-UHFFFAOYSA-N Synonym: methyl alpha-bromophenylacetate,methyl bromophenylacetate,methyl bromo phenyl acetate,methyl .alpha.-bromophenylacetate,methyl2-bromo-2-phenylacetate,methyl .alpha.-bromobenzeneacetate,benzeneacetic acid, .alpha.-bromo-, methyl ester,+/--methyl alpha-bromophenylacetate,alpha-bromophenylacetic acid methyl ester,methyl .alpha.-bromo-.alpha.-phenylacetate PubChem CID: 137806 IUPAC Name: methyl 2-bromo-2-phenylacetate SMILES: COC(=O)C(C1=CC=CC=C1)Br
| PubChem CID | 137806 |
|---|---|
| CAS | 3042-81-7 |
| Molecular Weight (g/mol) | 229.07 |
| MDL Number | MFCD00013535 |
| SMILES | COC(=O)C(C1=CC=CC=C1)Br |
| Synonym | methyl alpha-bromophenylacetate,methyl bromophenylacetate,methyl bromo phenyl acetate,methyl .alpha.-bromophenylacetate,methyl2-bromo-2-phenylacetate,methyl .alpha.-bromobenzeneacetate,benzeneacetic acid, .alpha.-bromo-, methyl ester,+/--methyl alpha-bromophenylacetate,alpha-bromophenylacetic acid methyl ester,methyl .alpha.-bromo-.alpha.-phenylacetate |
| IUPAC Name | methyl 2-bromo-2-phenylacetate |
| InChI Key | NHFBYYMNJUMVOT-UHFFFAOYSA-N |
| Molecular Formula | C9H9BrO2 |
Ethylenediaminetetraacetic acid tripotassium salt
CAS: 17572-97-3 Molecular Formula: C10H13K3N2O8 Molecular Weight (g/mol): 406.52 MDL Number: MFCD00013304 InChI Key: FYZXEMANQYHCFX-UHFFFAOYSA-K Synonym: edetate tripotassium,tripotassium edta,edta tripotassium salt,ethylenediaminetetraacetic acid tripotassium salt,tripotassium hydrogen ethylenediaminetetraacetate,sequestrene 50k3,unii-kia5203u1h,tripotassium ethylenediaminetetraacetate,edta-3k,glycine, n,n'-1,2-ethanediylbis n-carboxymethyl-, tripotassium salt PubChem CID: 62717 IUPAC Name: tripotassium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate SMILES: [K+].[K+].[K+].OC(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O
| PubChem CID | 62717 |
|---|---|
| CAS | 17572-97-3 |
| Molecular Weight (g/mol) | 406.52 |
| MDL Number | MFCD00013304 |
| SMILES | [K+].[K+].[K+].OC(=O)CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O |
| Synonym | edetate tripotassium,tripotassium edta,edta tripotassium salt,ethylenediaminetetraacetic acid tripotassium salt,tripotassium hydrogen ethylenediaminetetraacetate,sequestrene 50k3,unii-kia5203u1h,tripotassium ethylenediaminetetraacetate,edta-3k,glycine, n,n'-1,2-ethanediylbis n-carboxymethyl-, tripotassium salt |
| IUPAC Name | tripotassium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate |
| InChI Key | FYZXEMANQYHCFX-UHFFFAOYSA-K |
| Molecular Formula | C10H13K3N2O8 |
Sodium pivalate hydrate, 98%
CAS: 143174-36-1 Molecular Formula: C5H9NaO2 Molecular Weight (g/mol): 124.12 MDL Number: MFCD00150782 InChI Key: SJRDNQOIQZOVQD-UHFFFAOYSA-M Synonym: sodium trimethylacetate hydrate,sodium pivalate hydrate,sodium hydrate pivalate,propanoic acid, 2,2-dimethyl-, sodium salt, hydrate,acmc-20ajn9,sodiumtrimethylacetatehydrate,c5h9o2.na.h2o,trimethylacetic acid sodium salt hydrate,sodium 2,2-dimethylpropanoate-water 1/1/1 PubChem CID: 23666172 IUPAC Name: sodium;2,2-dimethylpropanoate;hydrate SMILES: [Na+].CC(C)(C)C([O-])=O
| PubChem CID | 23666172 |
|---|---|
| CAS | 143174-36-1 |
| Molecular Weight (g/mol) | 124.12 |
| MDL Number | MFCD00150782 |
| SMILES | [Na+].CC(C)(C)C([O-])=O |
| Synonym | sodium trimethylacetate hydrate,sodium pivalate hydrate,sodium hydrate pivalate,propanoic acid, 2,2-dimethyl-, sodium salt, hydrate,acmc-20ajn9,sodiumtrimethylacetatehydrate,c5h9o2.na.h2o,trimethylacetic acid sodium salt hydrate,sodium 2,2-dimethylpropanoate-water 1/1/1 |
| IUPAC Name | sodium;2,2-dimethylpropanoate;hydrate |
| InChI Key | SJRDNQOIQZOVQD-UHFFFAOYSA-M |
| Molecular Formula | C5H9NaO2 |
Valeramide, 97%
CAS: 626-97-1 Molecular Formula: C5H11NO Molecular Weight (g/mol): 101.15 MDL Number: MFCD00041895 InChI Key: IPWFJLQDVFKJDU-UHFFFAOYSA-N Synonym: valeramide,n-valeramide,pentanimidic acid,unii-tkl9tn43qk,tkl9tn43qk,ksc353i5p,ipwfjlqdvfkjdu-uhfffaoysa,valeramide, pharmaceutical impurity standard PubChem CID: 12298 ChEBI: CHEBI:16459 IUPAC Name: pentanamide SMILES: CCCCC(=O)N
| PubChem CID | 12298 |
|---|---|
| CAS | 626-97-1 |
| Molecular Weight (g/mol) | 101.15 |
| ChEBI | CHEBI:16459 |
| MDL Number | MFCD00041895 |
| SMILES | CCCCC(=O)N |
| Synonym | valeramide,n-valeramide,pentanimidic acid,unii-tkl9tn43qk,tkl9tn43qk,ksc353i5p,ipwfjlqdvfkjdu-uhfffaoysa,valeramide, pharmaceutical impurity standard |
| IUPAC Name | pentanamide |
| InChI Key | IPWFJLQDVFKJDU-UHFFFAOYSA-N |
| Molecular Formula | C5H11NO |
N-(Hydroxymethyl)trifluoroacetamide, 98+%
CAS: 50667-69-1 Molecular Formula: C3H4F3NO2 Molecular Weight (g/mol): 143.065 MDL Number: MFCD00014416 InChI Key: URUWXKFAEKTWKG-UHFFFAOYSA-N Synonym: 2,2,2-trifluoro-n-hydroxymethyl acetamide,n-hydroxymethyl trifluoroacetamide,n-hydroxymethyltrifluoroacetamide,acetamide, 2,2,2-trifluoro-n-hydroxymethyl,acmc-20akaf,trifluoroacetamidomethanol,n-hydroxymethyl fluoroacetamide,n-hydroxymethyl-trifluoroacetamide,n-hydroxy methyl trifluoro acetamide PubChem CID: 3084931 IUPAC Name: 2,2,2-trifluoro-N-(hydroxymethyl)acetamide SMILES: C(NC(=O)C(F)(F)F)O
| PubChem CID | 3084931 |
|---|---|
| CAS | 50667-69-1 |
| Molecular Weight (g/mol) | 143.065 |
| MDL Number | MFCD00014416 |
| SMILES | C(NC(=O)C(F)(F)F)O |
| Synonym | 2,2,2-trifluoro-n-hydroxymethyl acetamide,n-hydroxymethyl trifluoroacetamide,n-hydroxymethyltrifluoroacetamide,acetamide, 2,2,2-trifluoro-n-hydroxymethyl,acmc-20akaf,trifluoroacetamidomethanol,n-hydroxymethyl fluoroacetamide,n-hydroxymethyl-trifluoroacetamide,n-hydroxy methyl trifluoro acetamide |
| IUPAC Name | 2,2,2-trifluoro-N-(hydroxymethyl)acetamide |
| InChI Key | URUWXKFAEKTWKG-UHFFFAOYSA-N |
| Molecular Formula | C3H4F3NO2 |