Organic acids and derivatives
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Sodium succinate hexahydrate
CAS: 6106-21-4 Molecular Formula: C4H16Na2O10 Molecular Weight (g/mol): 270.142 MDL Number: MFCD00149117 InChI Key: ZBTUYCUNQBRXOR-UHFFFAOYSA-L Synonym: disodium succinate hexahydrate,sodium succinate hexahydrate,unii-u16qod6c4e,butanedioic acid, disodium salt, hexahydrate,disodium butanedioate hexahydrate,u16qod6c4e,disodium hexahydrate succinate,sodium succinate dibasic hexahydrate,butanedioic acid disodium salt,succinic acid disodium salt hexahydrate PubChem CID: 3083938 ChEBI: CHEBI:63686 IUPAC Name: disodium;butanedioate;hexahydrate SMILES: C(CC(=O)[O-])C(=O)[O-].O.O.O.O.O.O.[Na+].[Na+]
| PubChem CID | 3083938 |
|---|---|
| CAS | 6106-21-4 |
| Molecular Weight (g/mol) | 270.142 |
| ChEBI | CHEBI:63686 |
| MDL Number | MFCD00149117 |
| SMILES | C(CC(=O)[O-])C(=O)[O-].O.O.O.O.O.O.[Na+].[Na+] |
| Synonym | disodium succinate hexahydrate,sodium succinate hexahydrate,unii-u16qod6c4e,butanedioic acid, disodium salt, hexahydrate,disodium butanedioate hexahydrate,u16qod6c4e,disodium hexahydrate succinate,sodium succinate dibasic hexahydrate,butanedioic acid disodium salt,succinic acid disodium salt hexahydrate |
| IUPAC Name | disodium;butanedioate;hexahydrate |
| InChI Key | ZBTUYCUNQBRXOR-UHFFFAOYSA-L |
| Molecular Formula | C4H16Na2O10 |
meso-2,3-Dimercaptosuccinic acid, 98%
CAS: 304-55-2 Molecular Formula: C4H6O4S2 Molecular Weight (g/mol): 182.21 MDL Number: MFCD00064799 InChI Key: ACTRVOBWPAIOHC-XIXRPRMCSA-N Synonym: succimer,meso-2,3-dimercaptosuccinic acid,meso-dimercaptosuccinic acid,dmsa,dim-sa,2r,3s-rel-2,3-dimercaptosuccinic acid,succimero,succimerum,chemet,dimercaptosuccinic acid PubChem CID: 2724354 ChEBI: CHEBI:63623 IUPAC Name: (2S,3R)-2,3-bis(sulfanyl)butanedioic acid SMILES: C(C(C(=O)O)S)(C(=O)O)S
| PubChem CID | 2724354 |
|---|---|
| CAS | 304-55-2 |
| Molecular Weight (g/mol) | 182.21 |
| ChEBI | CHEBI:63623 |
| MDL Number | MFCD00064799 |
| SMILES | C(C(C(=O)O)S)(C(=O)O)S |
| Synonym | succimer,meso-2,3-dimercaptosuccinic acid,meso-dimercaptosuccinic acid,dmsa,dim-sa,2r,3s-rel-2,3-dimercaptosuccinic acid,succimero,succimerum,chemet,dimercaptosuccinic acid |
| IUPAC Name | (2S,3R)-2,3-bis(sulfanyl)butanedioic acid |
| InChI Key | ACTRVOBWPAIOHC-XIXRPRMCSA-N |
| Molecular Formula | C4H6O4S2 |
2-Hydroxyethyl acrylate, 97%, stab. with 200-300ppm 4-methoxyphenol
CAS: 818-61-1 Molecular Formula: C5H8O3 Molecular Weight (g/mol): 116.116 MDL Number: MFCD00002865 InChI Key: OMIGHNLMNHATMP-UHFFFAOYSA-N Synonym: 2-hydroxyethyl acrylate,hydroxyethyl acrylate,2-propenoic acid, 2-hydroxyethyl ester,ethylene glycol monoacrylate,bisomer 2hea,acrylic acid 2-hydroxyethyl ester,2-acryloyloxy ethanol,ethylene glycol, acrylate,acrylic acid, 2-hydroxyethyl ester,2-hydroxyethylacrylate PubChem CID: 13165 IUPAC Name: 2-hydroxyethyl prop-2-enoate SMILES: C=CC(=O)OCCO
| PubChem CID | 13165 |
|---|---|
| CAS | 818-61-1 |
| Molecular Weight (g/mol) | 116.116 |
| MDL Number | MFCD00002865 |
| SMILES | C=CC(=O)OCCO |
| Synonym | 2-hydroxyethyl acrylate,hydroxyethyl acrylate,2-propenoic acid, 2-hydroxyethyl ester,ethylene glycol monoacrylate,bisomer 2hea,acrylic acid 2-hydroxyethyl ester,2-acryloyloxy ethanol,ethylene glycol, acrylate,acrylic acid, 2-hydroxyethyl ester,2-hydroxyethylacrylate |
| IUPAC Name | 2-hydroxyethyl prop-2-enoate |
| InChI Key | OMIGHNLMNHATMP-UHFFFAOYSA-N |
| Molecular Formula | C5H8O3 |
(Aminomethyl)phosphonic acid, 99%, Thermo Scientific Chemicals
CAS: 1066-51-9 Molecular Formula: CH6NO3P Molecular Weight (g/mol): 111.04 MDL Number: MFCD00008105 InChI Key: MGRVRXRGTBOSHW-UHFFFAOYSA-N Synonym: aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl PubChem CID: 14017 ChEBI: CHEBI:28812 IUPAC Name: aminomethylphosphonic acid SMILES: C(N)P(=O)(O)O
| PubChem CID | 14017 |
|---|---|
| CAS | 1066-51-9 |
| Molecular Weight (g/mol) | 111.04 |
| ChEBI | CHEBI:28812 |
| MDL Number | MFCD00008105 |
| SMILES | C(N)P(=O)(O)O |
| Synonym | aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl |
| IUPAC Name | aminomethylphosphonic acid |
| InChI Key | MGRVRXRGTBOSHW-UHFFFAOYSA-N |
| Molecular Formula | CH6NO3P |
Sodium 1-Hexanesulfonate 98.0+%, TCI America™
CAS: 2832-45-3 Molecular Formula: C6H13NaO3S Molecular Weight (g/mol): 188.22 MDL Number: MFCD00007542 InChI Key: QWSZRRAAFHGKCH-UHFFFAOYSA-M Synonym: sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt PubChem CID: 23677630 IUPAC Name: sodium hexane-1-sulfonate SMILES: [Na+].CCCCCCS([O-])(=O)=O
| PubChem CID | 23677630 |
|---|---|
| CAS | 2832-45-3 |
| Molecular Weight (g/mol) | 188.22 |
| MDL Number | MFCD00007542 |
| SMILES | [Na+].CCCCCCS([O-])(=O)=O |
| Synonym | sodium 1-hexanesulfonate,sodium hexane-1-sulfonate,sodium hexanesulfonate,1-hexanesulfonic acid sodium salt,1-hexanesulfonic acid, sodium salt,1-hexanesulfonic acid, sodium salt 1:1,1-hexane sulfonic acid sodium salt,hexyl sodium sulfonate,1-hexanesulfonate, sodium,hexanesulfonic acid na-salt |
| IUPAC Name | sodium hexane-1-sulfonate |
| InChI Key | QWSZRRAAFHGKCH-UHFFFAOYSA-M |
| Molecular Formula | C6H13NaO3S |
Ethyl propionate, 99%
CAS: 105-37-3 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00009308 InChI Key: FKRCODPIKNYEAC-UHFFFAOYSA-N Synonym: ethyl propionate,propanoic acid, ethyl ester,propionic ester,propionic ether,propionic acid, ethyl ester,ethylpropionate,propionate d'ethyle,propanoic acid ethyl ester,ethyl n-propionate,propionic acid ethyl ester PubChem CID: 7749 ChEBI: CHEBI:41330 IUPAC Name: ethyl propanoate SMILES: CCC(=O)OCC
| PubChem CID | 7749 |
|---|---|
| CAS | 105-37-3 |
| Molecular Weight (g/mol) | 102.133 |
| ChEBI | CHEBI:41330 |
| MDL Number | MFCD00009308 |
| SMILES | CCC(=O)OCC |
| Synonym | ethyl propionate,propanoic acid, ethyl ester,propionic ester,propionic ether,propionic acid, ethyl ester,ethylpropionate,propionate d'ethyle,propanoic acid ethyl ester,ethyl n-propionate,propionic acid ethyl ester |
| IUPAC Name | ethyl propanoate |
| InChI Key | FKRCODPIKNYEAC-UHFFFAOYSA-N |
| Molecular Formula | C5H10O2 |
Tri-n-butyl 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 |
trans-Methyl crotonate, 96%
CAS: 623-43-8 Molecular Formula: C5H8O2 Molecular Weight (g/mol): 100.12 MDL Number: MFCD00009287 InChI Key: MCVVUJPXSBQTRZ-ONEGZZNKSA-N Synonym: methyl crotonate,e-methyl but-2-enoate,trans-methyl crotonate,methyl e-crotonate,methyl 2-butenoate,methyl trans-crotonate,2-butenoic acid, methyl ester, 2e,trans-2-butenoic acid methyl ester,methyl trans-2-butenoate,e-crotonic acid methyl ester PubChem CID: 638132 SMILES: COC(=O)\C=C\C
| PubChem CID | 638132 |
|---|---|
| CAS | 623-43-8 |
| Molecular Weight (g/mol) | 100.12 |
| MDL Number | MFCD00009287 |
| SMILES | COC(=O)\C=C\C |
| Synonym | methyl crotonate,e-methyl but-2-enoate,trans-methyl crotonate,methyl e-crotonate,methyl 2-butenoate,methyl trans-crotonate,2-butenoic acid, methyl ester, 2e,trans-2-butenoic acid methyl ester,methyl trans-2-butenoate,e-crotonic acid methyl ester |
| InChI Key | MCVVUJPXSBQTRZ-ONEGZZNKSA-N |
| Molecular Formula | C5H8O2 |
3-Aminobenzeneboronic acid hydrochloride, 98%
CAS: 85006-23-1 Molecular Formula: C6H9BClNO2 Molecular Weight (g/mol): 173.40 MDL Number: MFCD00191748 InChI Key: QBMHZZHJIBUPOX-UHFFFAOYSA-N Synonym: 3-aminophenyl boronic acid hydrochloride,3-aminophenylboronic acid hydrochloride,3-aminophenylboronic acid hcl,m-aminophenylboronic acid hydrochloride,3-aminophenylboronic acid, hcl,3-aminobenzeneboronic acid hydrochloride,boronic acid, 3-aminophenyl-, hydrochloride,pubchem1751,pubchem20396,timtec-bb sbb003816 PubChem CID: 2763241 IUPAC Name: (3-aminophenyl)boronic acid;hydrochloride SMILES: Cl.NC1=CC=CC(=C1)B(O)O
| PubChem CID | 2763241 |
|---|---|
| CAS | 85006-23-1 |
| Molecular Weight (g/mol) | 173.40 |
| MDL Number | MFCD00191748 |
| SMILES | Cl.NC1=CC=CC(=C1)B(O)O |
| Synonym | 3-aminophenyl boronic acid hydrochloride,3-aminophenylboronic acid hydrochloride,3-aminophenylboronic acid hcl,m-aminophenylboronic acid hydrochloride,3-aminophenylboronic acid, hcl,3-aminobenzeneboronic acid hydrochloride,boronic acid, 3-aminophenyl-, hydrochloride,pubchem1751,pubchem20396,timtec-bb sbb003816 |
| IUPAC Name | (3-aminophenyl)boronic acid;hydrochloride |
| InChI Key | QBMHZZHJIBUPOX-UHFFFAOYSA-N |
| Molecular Formula | C6H9BClNO2 |
Methyl p-toluenesulfonate, 97%
CAS: 80-48-8 Molecular Formula: C8H10O3S Molecular Weight (g/mol): 186.23 MDL Number: MFCD00008417 InChI Key: VUQUOGPMUUJORT-UHFFFAOYSA-N Synonym: methyl p-toluenesulfonate,methyl tosylate,methyl p-tosylate,methyl toluene-4-sulfonate,methyl-p-toluenesulfonate,p-toluenesulfonic acid, methyl ester,benzenesulfonic acid, 4-methyl-, methyl ester,methyl toluene-4-sulphonate,p-toluenesulfonic acid methyl ester,p-methylbenzenesulfonate methyl ester PubChem CID: 6645 IUPAC Name: methyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OC
| PubChem CID | 6645 |
|---|---|
| CAS | 80-48-8 |
| Molecular Weight (g/mol) | 186.23 |
| MDL Number | MFCD00008417 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC |
| Synonym | methyl p-toluenesulfonate,methyl tosylate,methyl p-tosylate,methyl toluene-4-sulfonate,methyl-p-toluenesulfonate,p-toluenesulfonic acid, methyl ester,benzenesulfonic acid, 4-methyl-, methyl ester,methyl toluene-4-sulphonate,p-toluenesulfonic acid methyl ester,p-methylbenzenesulfonate methyl ester |
| IUPAC Name | methyl 4-methylbenzenesulfonate |
| InChI Key | VUQUOGPMUUJORT-UHFFFAOYSA-N |
| Molecular Formula | C8H10O3S |
DL-Panthenol, 99%
CAS: 16485-10-2 Molecular Formula: C9H19NO4 Molecular Weight (g/mol): 205.25 MDL Number: MFCD00002944 InChI Key: SNPLKNRPJHDVJA-UHFFFAOYNA-N Synonym: dl-panthenol,panthenol,dl-pantothenol,dl-pantothenyl alcohol,panthenolum,2,4-dihydroxy-n-3-hydroxypropyl-3,3-dimethylbutanamide,pantenol,pantenolo,penthenol,varitan PubChem CID: 4678 IUPAC Name: 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide SMILES: CC(C)(CO)C(O)C(=O)NCCCO
| PubChem CID | 4678 |
|---|---|
| CAS | 16485-10-2 |
| Molecular Weight (g/mol) | 205.25 |
| MDL Number | MFCD00002944 |
| SMILES | CC(C)(CO)C(O)C(=O)NCCCO |
| Synonym | dl-panthenol,panthenol,dl-pantothenol,dl-pantothenyl alcohol,panthenolum,2,4-dihydroxy-n-3-hydroxypropyl-3,3-dimethylbutanamide,pantenol,pantenolo,penthenol,varitan |
| IUPAC Name | 2,4-dihydroxy-N-(3-hydroxypropyl)-3,3-dimethylbutanamide |
| InChI Key | SNPLKNRPJHDVJA-UHFFFAOYNA-N |
| Molecular Formula | C9H19NO4 |
Trifluoroacetic anhydride, 99+%
CAS: 407-25-0 Molecular Formula: C4F6O3 Molecular Weight (g/mol): 210.03 MDL Number: MFCD00000416 InChI Key: QAEDZJGFFMLHHQ-UHFFFAOYSA-N Synonym: trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove PubChem CID: 9845 SMILES: FC(F)(F)C(=O)OC(=O)C(F)(F)F
| PubChem CID | 9845 |
|---|---|
| CAS | 407-25-0 |
| Molecular Weight (g/mol) | 210.03 |
| MDL Number | MFCD00000416 |
| SMILES | FC(F)(F)C(=O)OC(=O)C(F)(F)F |
| Synonym | trifluoroacetic anhydride,trifluoroacetic acid anhydride,2,2,2-trifluoroacetic anhydride,bis trifluoroacetic anhydride,acetic acid, trifluoro-, anhydride,perfluoroacetic anhydride,trifluoroacetyl anhydride,tfaa,hexafluoroacetic anhydride,anhydrid kyseliny trifluoroctove |
| InChI Key | QAEDZJGFFMLHHQ-UHFFFAOYSA-N |
| Molecular Formula | C4F6O3 |
1-Octanesulfonic acid, sodium salt, HPLC grade
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 |
Propylene carbonate, 99%
CAS: 108-32-7 Molecular Formula: C4H6O3 Molecular Weight (g/mol): 102.09 MDL Number: MFCD00005385,MFCD00798264,MFCD00798265 InChI Key: RUOJZAUFBMNUDX-UHFFFAOYNA-N Synonym: propylene carbonate,1,2-propylene carbonate,1,2-propanediol cyclic carbonate,texacar pc,1,3-dioxolan-2-one, 4-methyl,cyclic propylene carbonate,arconate 5000,1,2-propanediol carbonate,1-methylethylene carbonate,cyclic 1,2-propylene carbonate PubChem CID: 7924 IUPAC Name: 4-methyl-1,3-dioxolan-2-one SMILES: CC1COC(=O)O1
| PubChem CID | 7924 |
|---|---|
| CAS | 108-32-7 |
| Molecular Weight (g/mol) | 102.09 |
| MDL Number | MFCD00005385,MFCD00798264,MFCD00798265 |
| SMILES | CC1COC(=O)O1 |
| Synonym | propylene carbonate,1,2-propylene carbonate,1,2-propanediol cyclic carbonate,texacar pc,1,3-dioxolan-2-one, 4-methyl,cyclic propylene carbonate,arconate 5000,1,2-propanediol carbonate,1-methylethylene carbonate,cyclic 1,2-propylene carbonate |
| IUPAC Name | 4-methyl-1,3-dioxolan-2-one |
| InChI Key | RUOJZAUFBMNUDX-UHFFFAOYNA-N |
| Molecular Formula | C4H6O3 |
2-Chloroacetamide, 98+%
CAS: 79-07-2 Molecular Formula: C2H4ClNO Molecular Weight (g/mol): 93.51 MDL Number: MFCD00008027 InChI Key: VXIVSQZSERGHQP-UHFFFAOYSA-N Synonym: chloroacetamide,acetamide, 2-chloro,chloracetamide,2-chloroethanamide,microcide,mergal af,chloracetamid,usaf do-29,2-chloracetamide,2-chloro-acetamide PubChem CID: 6580 IUPAC Name: 2-chloroacetamide SMILES: NC(=O)CCl
| PubChem CID | 6580 |
|---|---|
| CAS | 79-07-2 |
| Molecular Weight (g/mol) | 93.51 |
| MDL Number | MFCD00008027 |
| SMILES | NC(=O)CCl |
| Synonym | chloroacetamide,acetamide, 2-chloro,chloracetamide,2-chloroethanamide,microcide,mergal af,chloracetamid,usaf do-29,2-chloracetamide,2-chloro-acetamide |
| IUPAC Name | 2-chloroacetamide |
| InChI Key | VXIVSQZSERGHQP-UHFFFAOYSA-N |
| Molecular Formula | C2H4ClNO |