Organic acids and derivatives
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Isobutyl isobutyrate, 98%
CAS: 97-85-8 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00008916 InChI Key: RXGUIWHIADMCFC-UHFFFAOYSA-N Synonym: isobutyl isobutyrate,isobutyl 2-methylpropanoate,isobutyl isobutanoate,isobutyric acid, isobutyl ester,propanoic acid, 2-methyl-, 2-methylpropyl ester,2-methylpropyl 2-methylpropionate,2-methylpropyl isobutyrate,isobutylester kyseliny isomaselne,fema number 2189,2-methyl-1-propyl 2-methylpropanoate PubChem CID: 7351 IUPAC Name: 2-methylpropyl 2-methylpropanoate SMILES: CC(C)COC(=O)C(C)C
| PubChem CID | 7351 |
|---|---|
| CAS | 97-85-8 |
| Molecular Weight (g/mol) | 144.21 |
| MDL Number | MFCD00008916 |
| SMILES | CC(C)COC(=O)C(C)C |
| Synonym | isobutyl isobutyrate,isobutyl 2-methylpropanoate,isobutyl isobutanoate,isobutyric acid, isobutyl ester,propanoic acid, 2-methyl-, 2-methylpropyl ester,2-methylpropyl 2-methylpropionate,2-methylpropyl isobutyrate,isobutylester kyseliny isomaselne,fema number 2189,2-methyl-1-propyl 2-methylpropanoate |
| IUPAC Name | 2-methylpropyl 2-methylpropanoate |
| InChI Key | RXGUIWHIADMCFC-UHFFFAOYSA-N |
| Molecular Formula | C8H16O2 |
1-Hexylboronic acid pinacol ester, 98%
CAS: 86308-26-1 Molecular Formula: C12H25BO2 Molecular Weight (g/mol): 212.14 MDL Number: MFCD08457665 InChI Key: LDPMCSWZEGKWLC-UHFFFAOYSA-N Synonym: hexylboronic acid pinacol ester,2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborole,1,3,2-dioxaborolane, 2-hexyl-4,4,5,5-tetramethyl PubChem CID: 10921795 IUPAC Name: 2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: B1(OC(C(O1)(C)C)(C)C)CCCCCC
| PubChem CID | 10921795 |
|---|---|
| CAS | 86308-26-1 |
| Molecular Weight (g/mol) | 212.14 |
| MDL Number | MFCD08457665 |
| SMILES | B1(OC(C(O1)(C)C)(C)C)CCCCCC |
| Synonym | hexylboronic acid pinacol ester,2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborole,1,3,2-dioxaborolane, 2-hexyl-4,4,5,5-tetramethyl |
| IUPAC Name | 2-hexyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | LDPMCSWZEGKWLC-UHFFFAOYSA-N |
| Molecular Formula | C12H25BO2 |
Etidronic Acid, Approx. 60%, Spectrum™ Chemical
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CAS: 2809-21-4 Molecular Formula: C2H8O7P2 Molecular Weight (g/mol): 206.03 InChI Key: DBVJJBKOTRCVKF-UHFFFAOYSA-N IUPAC Name: (1-hydroxy-1-phosphonoethyl)phosphonic acid SMILES: CC(O)(P(O)(O)=O)P(O)(O)=O
| CAS | 2809-21-4 |
|---|---|
| Molecular Weight (g/mol) | 206.03 |
| SMILES | CC(O)(P(O)(O)=O)P(O)(O)=O |
| IUPAC Name | (1-hydroxy-1-phosphonoethyl)phosphonic acid |
| InChI Key | DBVJJBKOTRCVKF-UHFFFAOYSA-N |
| Molecular Formula | C2H8O7P2 |
4-Cyclohexylbenzeneboronic acid, 98%
CAS: 374538-04-2 Molecular Formula: C12H17BO2 Molecular Weight (g/mol): 204.076 MDL Number: MFCD02093068 InChI Key: KNQVRFYNQWNYPU-UHFFFAOYSA-N Synonym: 4-cyclohexylbenzeneboronic acid,4-cyclohexylphenyl boronic acid,boronic acid, 4-cyclohexylphenyl,4-cyclohexylphenylboronicacid,zlchem 189,pubchem6403,pubchem7791,acmc-209it1,4-cyclohexylphenylboronic-acid,4-cyclohexyl-phenylboronic acid PubChem CID: 4589189 IUPAC Name: (4-cyclohexylphenyl)boronic acid SMILES: B(C1=CC=C(C=C1)C2CCCCC2)(O)O
| PubChem CID | 4589189 |
|---|---|
| CAS | 374538-04-2 |
| Molecular Weight (g/mol) | 204.076 |
| MDL Number | MFCD02093068 |
| SMILES | B(C1=CC=C(C=C1)C2CCCCC2)(O)O |
| Synonym | 4-cyclohexylbenzeneboronic acid,4-cyclohexylphenyl boronic acid,boronic acid, 4-cyclohexylphenyl,4-cyclohexylphenylboronicacid,zlchem 189,pubchem6403,pubchem7791,acmc-209it1,4-cyclohexylphenylboronic-acid,4-cyclohexyl-phenylboronic acid |
| IUPAC Name | (4-cyclohexylphenyl)boronic acid |
| InChI Key | KNQVRFYNQWNYPU-UHFFFAOYSA-N |
| Molecular Formula | C12H17BO2 |
Tamoxifen Citrate, USP, 99-101%, Spectrum™ Chemical
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CAS: 54965-24-1 Molecular Formula: C32H37NO8 Molecular Weight (g/mol): 563.65 MDL Number: MFCD00058321 InChI Key: FQZYTYWMLGAPFJ-OQKDUQJOSA-N IUPAC Name: (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1
| CAS | 54965-24-1 |
|---|---|
| Molecular Weight (g/mol) | 563.65 |
| MDL Number | MFCD00058321 |
| SMILES | OC(=O)CC(O)(CC(O)=O)C(O)=O.CC\C(=C(/C1=CC=CC=C1)C1=CC=C(OCCN(C)C)C=C1)C1=CC=CC=C1 |
| IUPAC Name | (2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethyl)dimethylamine; 2-hydroxypropane-1,2,3-tricarboxylic acid |
| InChI Key | FQZYTYWMLGAPFJ-OQKDUQJOSA-N |
| Molecular Formula | C32H37NO8 |
Cyclobutanecarboxylic acid, 97%
CAS: 3721-95-7 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00001323 InChI Key: TXWOGHSRPAYOML-UHFFFAOYSA-N Synonym: cyclobutylcarboxylic acid,cyclo-butyl formic acid,cyclobutane carboxylic acid,unii-0rdj7c51o0,pubchem14139,acmc-1cnqb,cyclobutan carboxylic acid,cyclobutyl carboxylic acid,cyclobutancecarboxylic acid,cyclobutane-carboxylic acid PubChem CID: 19494 IUPAC Name: cyclobutanecarboxylic acid SMILES: OC(=O)C1CCC1
| PubChem CID | 19494 |
|---|---|
| CAS | 3721-95-7 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00001323 |
| SMILES | OC(=O)C1CCC1 |
| Synonym | cyclobutylcarboxylic acid,cyclo-butyl formic acid,cyclobutane carboxylic acid,unii-0rdj7c51o0,pubchem14139,acmc-1cnqb,cyclobutan carboxylic acid,cyclobutyl carboxylic acid,cyclobutancecarboxylic acid,cyclobutane-carboxylic acid |
| IUPAC Name | cyclobutanecarboxylic acid |
| InChI Key | TXWOGHSRPAYOML-UHFFFAOYSA-N |
| Molecular Formula | C5H8O2 |
Methyl Lactate, +98%, Spectrum™ Chemical
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CAS: 547-64-8
| CAS | 547-64-8 |
|---|
3,5-Dimethoxybenzeneboronic acid, 98%
CAS: 192182-54-0 Molecular Formula: C8H11BO4 Molecular Weight (g/mol): 181.982 MDL Number: MFCD03095127 InChI Key: XUIURRYWQBBCCK-UHFFFAOYSA-N Synonym: 3,5-dimethoxybenzeneboronic acid,3,5-dimethoxyphenyl boronic acid,3,5-dimethoxyphenylboronicacid,boronic acid, 3,5-dimethoxyphenyl,pubchem1827,acmc-1c82c,ksc174i6h,3,5-dimethoxy phenyl boronic acid,3,5-dimethoxyphenylboronic acid,boronic acid, b-3,5-dimethoxyphenyl PubChem CID: 4374257 IUPAC Name: (3,5-dimethoxyphenyl)boronic acid SMILES: B(C1=CC(=CC(=C1)OC)OC)(O)O
| PubChem CID | 4374257 |
|---|---|
| CAS | 192182-54-0 |
| Molecular Weight (g/mol) | 181.982 |
| MDL Number | MFCD03095127 |
| SMILES | B(C1=CC(=CC(=C1)OC)OC)(O)O |
| Synonym | 3,5-dimethoxybenzeneboronic acid,3,5-dimethoxyphenyl boronic acid,3,5-dimethoxyphenylboronicacid,boronic acid, 3,5-dimethoxyphenyl,pubchem1827,acmc-1c82c,ksc174i6h,3,5-dimethoxy phenyl boronic acid,3,5-dimethoxyphenylboronic acid,boronic acid, b-3,5-dimethoxyphenyl |
| IUPAC Name | (3,5-dimethoxyphenyl)boronic acid |
| InChI Key | XUIURRYWQBBCCK-UHFFFAOYSA-N |
| Molecular Formula | C8H11BO4 |
Isopropyl Myristate, B&J Brand™, for sterility testing of ophthalmic ointments, Honeywell Burdick & Jackson
CAS: 110-27-0 Molecular Formula: C17H34O2 Molecular Weight (g/mol): 270.457 InChI Key: AXISYYRBXTVTFY-UHFFFAOYSA-N Synonym: isopropyl myristate,isopropyl tetradecanoate,estergel,bisomel,isomyst,promyr,tetradecanoic acid, 1-methylethyl ester,deltyl extra,kesscomir,tegester PubChem CID: 8042 IUPAC Name: propan-2-yl tetradecanoate SMILES: CCCCCCCCCCCCCC(=O)OC(C)C
| PubChem CID | 8042 |
|---|---|
| CAS | 110-27-0 |
| Molecular Weight (g/mol) | 270.457 |
| SMILES | CCCCCCCCCCCCCC(=O)OC(C)C |
| Synonym | isopropyl myristate,isopropyl tetradecanoate,estergel,bisomel,isomyst,promyr,tetradecanoic acid, 1-methylethyl ester,deltyl extra,kesscomir,tegester |
| IUPAC Name | propan-2-yl tetradecanoate |
| InChI Key | AXISYYRBXTVTFY-UHFFFAOYSA-N |
| Molecular Formula | C17H34O2 |
EDTA, Powder, BAKER ANALYZED™ A.C.S. Reagent, J.T. Baker™
CAS: 60-00-4 Molecular Formula: C10H16N2O8 Molecular Weight (g/mol): 292.24 MDL Number: MFCD00003541 InChI Key: KCXVZYZYPLLWCC-UHFFFAOYSA-N Synonym: edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol PubChem CID: 6049 ChEBI: CHEBI:42191 IUPAC Name: 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid SMILES: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
| PubChem CID | 6049 |
|---|---|
| CAS | 60-00-4 |
| Molecular Weight (g/mol) | 292.24 |
| ChEBI | CHEBI:42191 |
| MDL Number | MFCD00003541 |
| SMILES | OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O |
| Synonym | edta,edetic acid,ethylenediaminetetraacetic acid,edathamil,versene,endrate,havidote,titriplex,edta acid,sequestrol |
| IUPAC Name | 2-({2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino)acetic acid |
| InChI Key | KCXVZYZYPLLWCC-UHFFFAOYSA-N |
| Molecular Formula | C10H16N2O8 |
Methyl 4-bromocrotonate, tech. 85%
CAS: 1117-71-1 Molecular Formula: C5H7BrO2 Molecular Weight (g/mol): 179.01 MDL Number: MFCD00000246,MFCD09998308 InChI Key: RWIKCBHOVNDESJ-NSCUHMNNSA-N Synonym: methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester PubChem CID: 5369175 IUPAC Name: methyl (E)-4-bromobut-2-enoate SMILES: COC(=O)\C=C\CBr
| PubChem CID | 5369175 |
|---|---|
| CAS | 1117-71-1 |
| Molecular Weight (g/mol) | 179.01 |
| MDL Number | MFCD00000246,MFCD09998308 |
| SMILES | COC(=O)\C=C\CBr |
| Synonym | methyl 4-bromocrotonate,e-methyl 4-bromobut-2-enoate,4-bromocrotonic acid methyl ester,methyl gamma-bromocrotonate,methyl bromocrotonate,methyl 4-bromo-2-butenoate,2-butenoic acid, 4-bromo-, methyl ester,methyl 4-bromobut-2-enoate,methyl 2e-4-bromobut-2-enoate,crotonic acid, 4-bromo-, methyl ester |
| IUPAC Name | methyl (E)-4-bromobut-2-enoate |
| InChI Key | RWIKCBHOVNDESJ-NSCUHMNNSA-N |
| Molecular Formula | C5H7BrO2 |
Levulinic Acid, 98+%
CAS: 123-76-2 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.12 MDL Number: MFCD00002796 InChI Key: JOOXCMJARBKPKM-UHFFFAOYSA-N Synonym: levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid PubChem CID: 11579 ChEBI: CHEBI:45630 IUPAC Name: 4-oxopentanoic acid SMILES: CC(=O)CCC(=O)O
| PubChem CID | 11579 |
|---|---|
| CAS | 123-76-2 |
| Molecular Weight (g/mol) | 116.12 |
| ChEBI | CHEBI:45630 |
| MDL Number | MFCD00002796 |
| SMILES | CC(=O)CCC(=O)O |
| Synonym | levulinic acid,laevulinic acid,pentanoic acid, 4-oxo,levulic acid,4-oxovaleric acid,3-acetylpropionic acid,4-ketovaleric acid,leva,gamma-ketovaleric acid,acetopropionic acid |
| IUPAC Name | 4-oxopentanoic acid |
| InChI Key | JOOXCMJARBKPKM-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
N,N-Dimethylmethanesulfonamide, 98+%
CAS: 918-05-8 Molecular Formula: C3H9NO2S Molecular Weight (g/mol): 123.17 MDL Number: MFCD00014740 InChI Key: WCFDSGHAIGTEKL-UHFFFAOYSA-N Synonym: n,n-dimethyl methanesulfonamide,methanesulfonamide, n,n-dimethyl,nn-dimethylmethanesulfonamide,n,n-dimethylmethanesulphonamide,n,n-dimethyl-methanesulfonamide,timtec-bb sbb007962,dimethyl methylsulfonyl amine,methanesulfonamide,n-dimethyl,wcfdsghaigtekl-uhfffaoysa PubChem CID: 70191 IUPAC Name: N,N-dimethylmethanesulfonamide SMILES: CN(C)S(=O)(=O)C
| PubChem CID | 70191 |
|---|---|
| CAS | 918-05-8 |
| Molecular Weight (g/mol) | 123.17 |
| MDL Number | MFCD00014740 |
| SMILES | CN(C)S(=O)(=O)C |
| Synonym | n,n-dimethyl methanesulfonamide,methanesulfonamide, n,n-dimethyl,nn-dimethylmethanesulfonamide,n,n-dimethylmethanesulphonamide,n,n-dimethyl-methanesulfonamide,timtec-bb sbb007962,dimethyl methylsulfonyl amine,methanesulfonamide,n-dimethyl,wcfdsghaigtekl-uhfffaoysa |
| IUPAC Name | N,N-dimethylmethanesulfonamide |
| InChI Key | WCFDSGHAIGTEKL-UHFFFAOYSA-N |
| Molecular Formula | C3H9NO2S |
Benzo[b]furan-3-boronic acid, 98%
CAS: 317830-83-4 Molecular Formula: C8H7BO3 Molecular Weight (g/mol): 161.95 MDL Number: MFCD06801687 InChI Key: DFUGYZQSDFQVPU-UHFFFAOYSA-N Synonym: benzofuran-3-ylboronic acid,benzofuran-3-boronic acid,1-benzofuran-3-yl boronic acid,boronic acid, 3-benzofuranyl,acmc-1csxn,benzo b furan-3-boronic acid,benzofuran-3-yl boronic acid PubChem CID: 23438904 SMILES: OB(O)C1=COC2=CC=CC=C12
| PubChem CID | 23438904 |
|---|---|
| CAS | 317830-83-4 |
| Molecular Weight (g/mol) | 161.95 |
| MDL Number | MFCD06801687 |
| SMILES | OB(O)C1=COC2=CC=CC=C12 |
| Synonym | benzofuran-3-ylboronic acid,benzofuran-3-boronic acid,1-benzofuran-3-yl boronic acid,boronic acid, 3-benzofuranyl,acmc-1csxn,benzo b furan-3-boronic acid,benzofuran-3-yl boronic acid |
| InChI Key | DFUGYZQSDFQVPU-UHFFFAOYSA-N |
| Molecular Formula | C8H7BO3 |
Diphenylaminesulfonic Acid Sodium Salt, For ACS analysis, MP Biomedicals™
CAS: 6152-67-6 Molecular Formula: C12H11NNaO3S Molecular Weight (g/mol): 272.27 MDL Number: MFCD00036468 InChI Key: VMVSDVIYIMNZBS-UHFFFAOYSA-N Synonym: sodium 4-phenylamino benzenesulfonate,sodium diphenylamine-4-sulfonate,benzenesulfonic acid, 4-phenylamino-, monosodium salt,unii-3e2ux1382o,sodium 4-anilinobenzenesulfonate,diphenylamine-4-sulfonic acid sodium salt,sodium diphenylamine-p-sulfonate,n-phenylsulfanilic acid, sodium salt,4-phenylamino benzenesulfonic acid sodium salt,diphenylaminesulfonic acid sodium salt PubChem CID: 517002 IUPAC Name: 4-(phenylamino)benzene-1-sulfonic acid sodium SMILES: [Na].OS(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1
| PubChem CID | 517002 |
|---|---|
| CAS | 6152-67-6 |
| Molecular Weight (g/mol) | 272.27 |
| MDL Number | MFCD00036468 |
| SMILES | [Na].OS(=O)(=O)C1=CC=C(NC2=CC=CC=C2)C=C1 |
| Synonym | sodium 4-phenylamino benzenesulfonate,sodium diphenylamine-4-sulfonate,benzenesulfonic acid, 4-phenylamino-, monosodium salt,unii-3e2ux1382o,sodium 4-anilinobenzenesulfonate,diphenylamine-4-sulfonic acid sodium salt,sodium diphenylamine-p-sulfonate,n-phenylsulfanilic acid, sodium salt,4-phenylamino benzenesulfonic acid sodium salt,diphenylaminesulfonic acid sodium salt |
| IUPAC Name | 4-(phenylamino)benzene-1-sulfonic acid sodium |
| InChI Key | VMVSDVIYIMNZBS-UHFFFAOYSA-N |
| Molecular Formula | C12H11NNaO3S |