Organic acids and derivatives
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Diphenylamine-4-sulfonic acid, sodium salt, ACS reagent
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: sodium;4-anilinobenzenesulfonate 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 | sodium;4-anilinobenzenesulfonate |
| InChI Key | VMVSDVIYIMNZBS-UHFFFAOYSA-N |
| Molecular Formula | C12H11NNaO3S |
Tetraethyl methylenediphosphonate, 97%
CAS: 1660-94-2 Molecular Formula: C9H22O6P2 Molecular Weight (g/mol): 288.22 MDL Number: MFCD00039887 InChI Key: STJWVOQLJPNAQL-UHFFFAOYSA-N Synonym: tetraethyl methylenediphosphonate,tetraethyl methanediphosphonate,tetraethyl diphosphonomethane,methylenebis diethylphosphonate,tetraethyl methylenebisphosphonate,phosphonic acid, methylenebis-, tetraethyl ester,methylenebis diethoxyphosphine oxide,methylenebisphosphonic acid, tetraethyl ester,phosphonic acid, methylenedi-, tetraethyl ester,methylenedi phosphonic acid tetraethyl ester PubChem CID: 15455 IUPAC Name: 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane SMILES: CCOP(=O)(CP(=O)(OCC)OCC)OCC
| PubChem CID | 15455 |
|---|---|
| CAS | 1660-94-2 |
| Molecular Weight (g/mol) | 288.22 |
| MDL Number | MFCD00039887 |
| SMILES | CCOP(=O)(CP(=O)(OCC)OCC)OCC |
| Synonym | tetraethyl methylenediphosphonate,tetraethyl methanediphosphonate,tetraethyl diphosphonomethane,methylenebis diethylphosphonate,tetraethyl methylenebisphosphonate,phosphonic acid, methylenebis-, tetraethyl ester,methylenebis diethoxyphosphine oxide,methylenebisphosphonic acid, tetraethyl ester,phosphonic acid, methylenedi-, tetraethyl ester,methylenedi phosphonic acid tetraethyl ester |
| IUPAC Name | 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane |
| InChI Key | STJWVOQLJPNAQL-UHFFFAOYSA-N |
| Molecular Formula | C9H22O6P2 |
Etidronate disodium
CAS: 7414-83-7 Molecular Formula: C2H6Na2O7P2 Molecular Weight (g/mol): 249.99 MDL Number: MFCD00152567 InChI Key: GWBBVOVXJZATQQ-UHFFFAOYSA-L Synonym: etidronate disodium,disodium etidronate,didronel,sodium etidronate,sodium ethidronate,sodium ethydronate,disodium ethydronate,didronel r,disodium ethanol-1,1-diphosphonate,etidronsaeure dinatriumsalz PubChem CID: 23894 ChEBI: CHEBI:4906 IUPAC Name: disodium hydrogen (1-hydrogen phosphonato-1-hydroxyethyl)phosphonate SMILES: [Na+].[Na+].CC(O)(P(O)([O-])=O)P(O)([O-])=O
| PubChem CID | 23894 |
|---|---|
| CAS | 7414-83-7 |
| Molecular Weight (g/mol) | 249.99 |
| ChEBI | CHEBI:4906 |
| MDL Number | MFCD00152567 |
| SMILES | [Na+].[Na+].CC(O)(P(O)([O-])=O)P(O)([O-])=O |
| Synonym | etidronate disodium,disodium etidronate,didronel,sodium etidronate,sodium ethidronate,sodium ethydronate,disodium ethydronate,didronel r,disodium ethanol-1,1-diphosphonate,etidronsaeure dinatriumsalz |
| IUPAC Name | disodium hydrogen (1-hydrogen phosphonato-1-hydroxyethyl)phosphonate |
| InChI Key | GWBBVOVXJZATQQ-UHFFFAOYSA-L |
| Molecular Formula | C2H6Na2O7P2 |
Methyl trimethylacetate, 99%
CAS: 598-98-1 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00008843 InChI Key: CNMFHDIDIMZHKY-UHFFFAOYSA-N Synonym: methyl pivalate,methyl trimethylacetate,propanoic acid, 2,2-dimethyl-, methyl ester,pivalic acid, methyl ester,unii-bfx9w386ox,bfx9w386ox,pivalic acid methyl ester,methyl pivaloate,methyltrimethylacetate,tert-c4h9cooch3 PubChem CID: 69027 IUPAC Name: methyl 2,2-dimethylpropanoate SMILES: CC(C)(C)C(=O)OC
| PubChem CID | 69027 |
|---|---|
| CAS | 598-98-1 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00008843 |
| SMILES | CC(C)(C)C(=O)OC |
| Synonym | methyl pivalate,methyl trimethylacetate,propanoic acid, 2,2-dimethyl-, methyl ester,pivalic acid, methyl ester,unii-bfx9w386ox,bfx9w386ox,pivalic acid methyl ester,methyl pivaloate,methyltrimethylacetate,tert-c4h9cooch3 |
| IUPAC Name | methyl 2,2-dimethylpropanoate |
| InChI Key | CNMFHDIDIMZHKY-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
1-Octanesulfonic Acid Sodium Salt, HPLC Grade, J.T. Baker™
CAS: 5324-84-5 Molecular Formula: C8H17NaO3S Molecular Weight (g/mol): 216.27 MDL Number: MFCD00007544 InChI Key: HRQDCDQDOPSGBR-UHFFFAOYSA-M Synonym: sodium 1-octanesulfonate,sodium octane-1-sulfonate,1-octanesulfonic acid sodium salt,sodium octanesulfonate,1-octanesulfonic acid, sodium salt,1-octanesulfonate, sodium,sodium octylsulfonate,unii-j46ez5jyb3,octyl sodium sulfonate,ipc-alks-8 PubChem CID: 23669624 SMILES: [Na+].CCCCCCCCS([O-])(=O)=O
| PubChem CID | 23669624 |
|---|---|
| CAS | 5324-84-5 |
| Molecular Weight (g/mol) | 216.27 |
| MDL Number | MFCD00007544 |
| SMILES | [Na+].CCCCCCCCS([O-])(=O)=O |
| Synonym | sodium 1-octanesulfonate,sodium octane-1-sulfonate,1-octanesulfonic acid sodium salt,sodium octanesulfonate,1-octanesulfonic acid, sodium salt,1-octanesulfonate, sodium,sodium octylsulfonate,unii-j46ez5jyb3,octyl sodium sulfonate,ipc-alks-8 |
| InChI Key | HRQDCDQDOPSGBR-UHFFFAOYSA-M |
| Molecular Formula | C8H17NaO3S |
MilliporeSigma™ EGTA, OmniPur™, Calbiochem™,
CAS: 67-42-5 Molecular Formula: C14H24N2O10 Molecular Weight (g/mol): 380.35 InChI Key: DEFVIWRASFVYLL-UHFFFAOYSA-N Synonym: egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn PubChem CID: 6207 ChEBI: CHEBI:30740 IUPAC Name: 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid SMILES: C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O
| PubChem CID | 6207 |
|---|---|
| CAS | 67-42-5 |
| Molecular Weight (g/mol) | 380.35 |
| ChEBI | CHEBI:30740 |
| SMILES | C(COCCOCCN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O |
| Synonym | egta,egtazic acid,gedta,ethylenebis oxyethylenenitrilo tetraacetic acid,ebonta,6,9-dioxa-3,12-diazatetradecanedioic acid, 3,12-bis carboxymethyl,1,2-bis 2-bis carboxymethyl amino ethoxy ethane,ethylene glycol tetraacetic acid,h4egta,egtazic acid usan:inn |
| IUPAC Name | 2-[2-[2-[2-[bis(carboxymethyl)amino]ethoxy]ethoxy]ethyl-(carboxymethyl)amino]acetic acid |
| InChI Key | DEFVIWRASFVYLL-UHFFFAOYSA-N |
| Molecular Formula | C14H24N2O10 |
Methyl 4,4,4-trifluorocrotonate, 97%
CAS: 85694-31-1 Molecular Formula: C5H5F3O2 Molecular Weight (g/mol): 154.09 MDL Number: MFCD00077567 InChI Key: DMMZYYLXAGRBDO-NSCUHMNNSA-N Synonym: methyl 4,4,4-trifluorocrotonate,methyl 2e-4,4,4-trifluorobut-2-enoate,methyl4,4,4-trifluorocrotonate,methyl e-3-trifluoromethyl propenoate,e-methyl 4,4,4-trifluorobut-2-enoate,methyl 4,4,4-trifluorobut-2-enoate,heddpndiaicichibemultbb`,methyl 4,4,4-trifluorocrotonat,methyl e-4,4,4-trifluorobut-2-enoate,4,4,4-trifluorocrotonic acid methyl ester PubChem CID: 5371282 IUPAC Name: methyl (E)-4,4,4-trifluorobut-2-enoate SMILES: COC(=O)\C=C\C(F)(F)F
| PubChem CID | 5371282 |
|---|---|
| CAS | 85694-31-1 |
| Molecular Weight (g/mol) | 154.09 |
| MDL Number | MFCD00077567 |
| SMILES | COC(=O)\C=C\C(F)(F)F |
| Synonym | methyl 4,4,4-trifluorocrotonate,methyl 2e-4,4,4-trifluorobut-2-enoate,methyl4,4,4-trifluorocrotonate,methyl e-3-trifluoromethyl propenoate,e-methyl 4,4,4-trifluorobut-2-enoate,methyl 4,4,4-trifluorobut-2-enoate,heddpndiaicichibemultbb`,methyl 4,4,4-trifluorocrotonat,methyl e-4,4,4-trifluorobut-2-enoate,4,4,4-trifluorocrotonic acid methyl ester |
| IUPAC Name | methyl (E)-4,4,4-trifluorobut-2-enoate |
| InChI Key | DMMZYYLXAGRBDO-NSCUHMNNSA-N |
| Molecular Formula | C5H5F3O2 |
1-Decanesulfonic Acid Sodium Salt, Approx. 99%, Spectrum™ Chemical
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CAS: 13419-61-9
| CAS | 13419-61-9 |
|---|
Diisopropyl cyanomethylphosphonate, 97%
CAS: 21658-95-7 Molecular Formula: C8H16NO3P Molecular Weight (g/mol): 205.194 MDL Number: MFCD00009812 InChI Key: MQDIIJHQSUNBKA-UHFFFAOYSA-N Synonym: diisopropyl cyanomethyl phosphonate,diisopropyl cyanomethylphosphonate,diisopropyl cyanomethylphosphonate,,acmc-20al7r,diisopropoxyphosphinylacetonitrile,2-di propan-2-yloxy phosphorylacetonitrile,diisopropyl cyanomethylphosphonate 5g,phosphonic acid,p-cyanomethyl-, bis 1-methylethyl ester PubChem CID: 88997 IUPAC Name: 2-di(propan-2-yloxy)phosphorylacetonitrile SMILES: CC(C)OP(=O)(CC#N)OC(C)C
| PubChem CID | 88997 |
|---|---|
| CAS | 21658-95-7 |
| Molecular Weight (g/mol) | 205.194 |
| MDL Number | MFCD00009812 |
| SMILES | CC(C)OP(=O)(CC#N)OC(C)C |
| Synonym | diisopropyl cyanomethyl phosphonate,diisopropyl cyanomethylphosphonate,diisopropyl cyanomethylphosphonate,,acmc-20al7r,diisopropoxyphosphinylacetonitrile,2-di propan-2-yloxy phosphorylacetonitrile,diisopropyl cyanomethylphosphonate 5g,phosphonic acid,p-cyanomethyl-, bis 1-methylethyl ester |
| IUPAC Name | 2-di(propan-2-yloxy)phosphorylacetonitrile |
| InChI Key | MQDIIJHQSUNBKA-UHFFFAOYSA-N |
| Molecular Formula | C8H16NO3P |
Antipyrine, 99%
CAS: 60-80-0 Molecular Formula: C11H12N2O Molecular Weight (g/mol): 188.23 MDL Number: MFCD00003146 InChI Key: VEQOALNAAJBPNY-UHFFFAOYSA-N Synonym: antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone PubChem CID: 2206 ChEBI: CHEBI:31225 IUPAC Name: 1,5-dimethyl-2-phenylpyrazol-3-one SMILES: CC1=CC(=O)N(N1C)C2=CC=CC=C2
| PubChem CID | 2206 |
|---|---|
| CAS | 60-80-0 |
| Molecular Weight (g/mol) | 188.23 |
| ChEBI | CHEBI:31225 |
| MDL Number | MFCD00003146 |
| SMILES | CC1=CC(=O)N(N1C)C2=CC=CC=C2 |
| Synonym | antipyrine,phenazone,antipyrin,phenazon,analgesine,anodynine,anodynin,azophen,fenazone,2,3-dimethyl-1-phenyl-5-pyrazolone |
| IUPAC Name | 1,5-dimethyl-2-phenylpyrazol-3-one |
| InChI Key | VEQOALNAAJBPNY-UHFFFAOYSA-N |
| Molecular Formula | C11H12N2O |
tert-Butyl chloroacetate, 97%
CAS: 107-59-5 Molecular Formula: C6H11ClO2 Molecular Weight (g/mol): 150 MDL Number: MFCD00000930 InChI Key: KUYMVWXKHQSIAS-UHFFFAOYSA-N Synonym: tert-butyl chloroacetate,chloroacetic acid tert-butyl ester,acetic acid, chloro-, 1,1-dimethylethyl ester,t-butyl chloroacetate,tert-butylchloroacetate,acetic acid, chloro-, tert-butyl ester,chloroacetic acid t-butyl ester,acetic acid, 2-chloro-, 1,1-dimethylethyl ester,t-butylchloroacetate,t-butyl-chloroacetate PubChem CID: 66052 IUPAC Name: tert-butyl 2-chloroacetate SMILES: CC(C)(C)OC(=O)CCl
| PubChem CID | 66052 |
|---|---|
| CAS | 107-59-5 |
| Molecular Weight (g/mol) | 150 |
| MDL Number | MFCD00000930 |
| SMILES | CC(C)(C)OC(=O)CCl |
| Synonym | tert-butyl chloroacetate,chloroacetic acid tert-butyl ester,acetic acid, chloro-, 1,1-dimethylethyl ester,t-butyl chloroacetate,tert-butylchloroacetate,acetic acid, chloro-, tert-butyl ester,chloroacetic acid t-butyl ester,acetic acid, 2-chloro-, 1,1-dimethylethyl ester,t-butylchloroacetate,t-butyl-chloroacetate |
| IUPAC Name | tert-butyl 2-chloroacetate |
| InChI Key | KUYMVWXKHQSIAS-UHFFFAOYSA-N |
| Molecular Formula | C6H11ClO2 |
Ethyl decanoate, 99%
CAS: 110-38-3 Molecular Formula: C12H24O2 Molecular Weight (g/mol): 200.322 MDL Number: MFCD00009581 InChI Key: RGXWDWUGBIJHDO-UHFFFAOYSA-N Synonym: ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo PubChem CID: 8048 ChEBI: CHEBI:87430 IUPAC Name: ethyl decanoate SMILES: CCCCCCCCCC(=O)OCC
| PubChem CID | 8048 |
|---|---|
| CAS | 110-38-3 |
| Molecular Weight (g/mol) | 200.322 |
| ChEBI | CHEBI:87430 |
| MDL Number | MFCD00009581 |
| SMILES | CCCCCCCCCC(=O)OCC |
| Synonym | ethyl caprate,ethyl caprinate,ethyl decylate,decanoic acid ethyl ester,decanoic acid, ethyl ester,capric acid ethyl ester,ethyl n-decanoate,capric acid, ethyl ester,natural,unii-gy39fb86uo |
| IUPAC Name | ethyl decanoate |
| InChI Key | RGXWDWUGBIJHDO-UHFFFAOYSA-N |
| Molecular Formula | C12H24O2 |
Indole-2-carboxylic acid, 99%
CAS: 1477-50-5 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00005611 InChI Key: HCUARRIEZVDMPT-UHFFFAOYSA-N Synonym: indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole PubChem CID: 72899 IUPAC Name: 1H-indole-2-carboxylic acid SMILES: OC(=O)C1=CC2=CC=CC=C2N1
| PubChem CID | 72899 |
|---|---|
| CAS | 1477-50-5 |
| Molecular Weight (g/mol) | 161.16 |
| MDL Number | MFCD00005611 |
| SMILES | OC(=O)C1=CC2=CC=CC=C2N1 |
| Synonym | indole-2-carboxylic acid,2-carboxyindole,2-indolecarboxylic acid,indol-2-carboxylic acid,1h-indolecarboxylic acid,indole-2-carboxylate,2-indolylformic acid,2-indole carboxylic acid,1h-indol-2-carbons,carboxyindole |
| IUPAC Name | 1H-indole-2-carboxylic acid |
| InChI Key | HCUARRIEZVDMPT-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO2 |
Urea, U.S.P., J.T. Baker™
CAS: 57-13-6 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.056 InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N Synonym: carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate PubChem CID: 1176 ChEBI: CHEBI:48376 IUPAC Name: urea SMILES: C(=O)(N)N
| PubChem CID | 1176 |
|---|---|
| CAS | 57-13-6 |
| Molecular Weight (g/mol) | 60.056 |
| ChEBI | CHEBI:48376 |
| SMILES | C(=O)(N)N |
| Synonym | carbamide,isourea,carbonyldiamide,ureophil,carbonyldiamine,carbamimidic acid,pseudourea,ureaphil,urevert,alphadrate |
| IUPAC Name | urea |
| InChI Key | XSQUKJJJFZCRTK-UHFFFAOYSA-N |
| Molecular Formula | CH4N2O |
N-Decanoyl-N-methyl-D-glucamine
CAS: 85261-20-7 Molecular Formula: C17H35NO6 Molecular Weight (g/mol): 349.468 MDL Number: MFCD00036801 InChI Key: UMWKZHPREXJQGR-XOSAIJSUSA-N Synonym: n-oxodecyl meglumine,unii-9q27za5m8g,n-methyl-n-2s,3r,4r,5r-2,3,4,5,6-pentahydroxyhexyl decanamide,decanoyl n-methylglucamide,decanoylmethylglucamine,d-glucitol, 1-deoxy-1-methyl 1-oxodecyl amino,d-glucitol, 1-deoxy-1-methyl 1-oxodecyl amino-, stereoisomer PubChem CID: 174432 IUPAC Name: N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide SMILES: CCCCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O
| PubChem CID | 174432 |
|---|---|
| CAS | 85261-20-7 |
| Molecular Weight (g/mol) | 349.468 |
| MDL Number | MFCD00036801 |
| SMILES | CCCCCCCCCC(=O)N(C)CC(C(C(C(CO)O)O)O)O |
| Synonym | n-oxodecyl meglumine,unii-9q27za5m8g,n-methyl-n-2s,3r,4r,5r-2,3,4,5,6-pentahydroxyhexyl decanamide,decanoyl n-methylglucamide,decanoylmethylglucamine,d-glucitol, 1-deoxy-1-methyl 1-oxodecyl amino,d-glucitol, 1-deoxy-1-methyl 1-oxodecyl amino-, stereoisomer |
| IUPAC Name | N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]decanamide |
| InChI Key | UMWKZHPREXJQGR-XOSAIJSUSA-N |
| Molecular Formula | C17H35NO6 |