Organic acids and derivatives
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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 |
Silver trifluoromethanesulfonate, 99+%
CAS: 2923-28-6 Molecular Formula: CAgF3O3S Molecular Weight (g/mol): 256.93 MDL Number: MFCD00013226 InChI Key: QRUBYZBWAOOHSV-UHFFFAOYSA-M Synonym: silver trifluoromethanesulfonate,silver triflate,agotf,silver trifluoromethanesulphonate,trifluoromethanesulfonic acid silver salt,silver i trifluoromethanesulfonate,silver trifluoromethylsulfonate,methanesulfonic acid, trifluoro-, silver 1+ salt,silver i trifluoromethanesulphonate,silver 1+ ion triflate PubChem CID: 76223 IUPAC Name: silver;trifluoromethanesulfonate SMILES: [Ag+].[O-]S(=O)(=O)C(F)(F)F
| PubChem CID | 76223 |
|---|---|
| CAS | 2923-28-6 |
| Molecular Weight (g/mol) | 256.93 |
| MDL Number | MFCD00013226 |
| SMILES | [Ag+].[O-]S(=O)(=O)C(F)(F)F |
| Synonym | silver trifluoromethanesulfonate,silver triflate,agotf,silver trifluoromethanesulphonate,trifluoromethanesulfonic acid silver salt,silver i trifluoromethanesulfonate,silver trifluoromethylsulfonate,methanesulfonic acid, trifluoro-, silver 1+ salt,silver i trifluoromethanesulphonate,silver 1+ ion triflate |
| IUPAC Name | silver;trifluoromethanesulfonate |
| InChI Key | QRUBYZBWAOOHSV-UHFFFAOYSA-M |
| Molecular Formula | CAgF3O3S |
Copper(II) cyclohexanebutyrate, AAS, Cu 15.8%
CAS: 2218-80-6 Molecular Formula: C20H36CuO4 Molecular Weight (g/mol): 404.05 MDL Number: MFCD00036399 InChI Key: ZGMZTUJLZVTXNR-UHFFFAOYSA-N Synonym: cyclohexanebutyric acid, copper salt PubChem CID: 131876184 IUPAC Name: copper;4-cyclohexylbutanoic acid SMILES: C1CCC(CC1)CCCC(=O)O.C1CCC(CC1)CCCC(=O)O.[Cu]
| PubChem CID | 131876184 |
|---|---|
| CAS | 2218-80-6 |
| Molecular Weight (g/mol) | 404.05 |
| MDL Number | MFCD00036399 |
| SMILES | C1CCC(CC1)CCCC(=O)O.C1CCC(CC1)CCCC(=O)O.[Cu] |
| Synonym | cyclohexanebutyric acid, copper salt |
| IUPAC Name | copper;4-cyclohexylbutanoic acid |
| InChI Key | ZGMZTUJLZVTXNR-UHFFFAOYSA-N |
| Molecular Formula | C20H36CuO4 |
Urea, USP, JP, 98-102%, Spectrum™ Chemical
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CAS: 57-13-6 Molecular Formula: CH4N2O Molecular Weight (g/mol): 60.06 InChI Key: XSQUKJJJFZCRTK-UHFFFAOYSA-N IUPAC Name: urea SMILES: NC(N)=O
| CAS | 57-13-6 |
|---|---|
| Molecular Weight (g/mol) | 60.06 |
| SMILES | NC(N)=O |
| IUPAC Name | urea |
| InChI Key | XSQUKJJJFZCRTK-UHFFFAOYSA-N |
| Molecular Formula | CH4N2O |
Aminoguanidine hydrogen carbonate, 98+%
CAS: 2582-30-1 Molecular Formula: C2H8N4O3 Molecular Weight (g/mol): 136.111 MDL Number: MFCD00012949 InChI Key: OTXHZHQQWQTQMW-UHFFFAOYSA-N Synonym: aminoguanidine bicarbonate,aminoguanidine hydrogen carbonate,aminoguanidinium bicarbonate,aminoguanidine hydrocarbonate,aminoguanidine carbonate 1:1,aminoguanidium hydrogen carbonate,n1-aminoguanidine carbonate 1:1,aminoguanidine hydrogencarbonate,aminoguanidinebicarbonate,hydrazinecarboximidamide carbonate PubChem CID: 164944 IUPAC Name: 2-aminoguanidine;carbonic acid SMILES: C(=NN)(N)N.C(=O)(O)O
| PubChem CID | 164944 |
|---|---|
| CAS | 2582-30-1 |
| Molecular Weight (g/mol) | 136.111 |
| MDL Number | MFCD00012949 |
| SMILES | C(=NN)(N)N.C(=O)(O)O |
| Synonym | aminoguanidine bicarbonate,aminoguanidine hydrogen carbonate,aminoguanidinium bicarbonate,aminoguanidine hydrocarbonate,aminoguanidine carbonate 1:1,aminoguanidium hydrogen carbonate,n1-aminoguanidine carbonate 1:1,aminoguanidine hydrogencarbonate,aminoguanidinebicarbonate,hydrazinecarboximidamide carbonate |
| IUPAC Name | 2-aminoguanidine;carbonic acid |
| InChI Key | OTXHZHQQWQTQMW-UHFFFAOYSA-N |
| Molecular Formula | C2H8N4O3 |
Dodecylbenzene Sodium Sulfonate, 65% in water, MP Biomedicals
CAS: 2211-98-5 Molecular Formula: C18H29NaO3S Molecular Weight (g/mol): 348.477 InChI Key: JHJUUEHSAZXEEO-UHFFFAOYSA-M Synonym: sodium 4-dodecylbenzenesulfonate,sodium p-dodecylbenzenesulfonate,conoco c-50,unii-hb2d2zei04,hb2d2zei04,benzenesulfonic acid, 4-dodecyl-, sodium salt 1:1,dodecene-1 las,benzenesulfonic acid, 4-dodecyl-, sodium salt,sodium 4-dodecylbenzenesulphonate,4-dodecylbenzenesulfonic acid sodium PubChem CID: 4289524 IUPAC Name: sodium;4-dodecylbenzenesulfonate SMILES: CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
| PubChem CID | 4289524 |
|---|---|
| CAS | 2211-98-5 |
| Molecular Weight (g/mol) | 348.477 |
| SMILES | CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+] |
| Synonym | sodium 4-dodecylbenzenesulfonate,sodium p-dodecylbenzenesulfonate,conoco c-50,unii-hb2d2zei04,hb2d2zei04,benzenesulfonic acid, 4-dodecyl-, sodium salt 1:1,dodecene-1 las,benzenesulfonic acid, 4-dodecyl-, sodium salt,sodium 4-dodecylbenzenesulphonate,4-dodecylbenzenesulfonic acid sodium |
| IUPAC Name | sodium;4-dodecylbenzenesulfonate |
| InChI Key | JHJUUEHSAZXEEO-UHFFFAOYSA-M |
| Molecular Formula | C18H29NaO3S |
Ethyl 2-butynoate, 98%
CAS: 4341-76-8 Molecular Formula: C6H8O2 Molecular Weight (g/mol): 112.128 MDL Number: MFCD00015182 InChI Key: FCJJZKCJURDYNF-UHFFFAOYSA-N Synonym: ethyl 2-butynoate,ethyl tetrolate,2-butynoic acid ethyl ester,but-2-ynoic acid ethyl ester,2-butynoic acid, ethyl ester,tetrolic acid ethyl ester,ethyl-2-butynoate,ethyl 3-methylpropiolate,acmc-1aeo2,ethyl 1-propynecarboxylate PubChem CID: 78043 IUPAC Name: ethyl but-2-ynoate SMILES: CCOC(=O)C#CC
| PubChem CID | 78043 |
|---|---|
| CAS | 4341-76-8 |
| Molecular Weight (g/mol) | 112.128 |
| MDL Number | MFCD00015182 |
| SMILES | CCOC(=O)C#CC |
| Synonym | ethyl 2-butynoate,ethyl tetrolate,2-butynoic acid ethyl ester,but-2-ynoic acid ethyl ester,2-butynoic acid, ethyl ester,tetrolic acid ethyl ester,ethyl-2-butynoate,ethyl 3-methylpropiolate,acmc-1aeo2,ethyl 1-propynecarboxylate |
| IUPAC Name | ethyl but-2-ynoate |
| InChI Key | FCJJZKCJURDYNF-UHFFFAOYSA-N |
| Molecular Formula | C6H8O2 |
(-)-Diethyl D-tartrate, 99%
CAS: 13811-71-7 Molecular Formula: C8H14O6 Molecular Weight (g/mol): 206.19 MDL Number: MFCD00064451 InChI Key: YSAVZVORKRDODB-WDSKDSINSA-N Synonym: --diethyl d-tartrate,2s,3s-diethyl 2,3-dihydroxysuccinate,diethyl d-tartrate,d---tartaric acid diethyl ester,diethyl d---tartrate,diethyl-d-tartrate,diethyl 2s,3s-2,3-dihydroxybutanedioate,2s,3s--dihydroxybutane-1,4-dioic acid diethyl ester,--diethyl-d-tartrate,diethyl s-r*,r*-tartrate PubChem CID: 117410 IUPAC Name: diethyl (2S,3S)-2,3-dihydroxybutanedioate SMILES: CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC
| PubChem CID | 117410 |
|---|---|
| CAS | 13811-71-7 |
| Molecular Weight (g/mol) | 206.19 |
| MDL Number | MFCD00064451 |
| SMILES | CCOC(=O)[C@@H](O)[C@H](O)C(=O)OCC |
| Synonym | --diethyl d-tartrate,2s,3s-diethyl 2,3-dihydroxysuccinate,diethyl d-tartrate,d---tartaric acid diethyl ester,diethyl d---tartrate,diethyl-d-tartrate,diethyl 2s,3s-2,3-dihydroxybutanedioate,2s,3s--dihydroxybutane-1,4-dioic acid diethyl ester,--diethyl-d-tartrate,diethyl s-r*,r*-tartrate |
| IUPAC Name | diethyl (2S,3S)-2,3-dihydroxybutanedioate |
| InChI Key | YSAVZVORKRDODB-WDSKDSINSA-N |
| Molecular Formula | C8H14O6 |
Aluminum trifluoromethanesulfonate, Thermo Scientific Chemicals
CAS: 74974-61-1 Molecular Formula: C3AlF9O9S3 Molecular Weight (g/mol): 474.171 MDL Number: MFCD00143596 InChI Key: FKOASGGZYSYPBI-UHFFFAOYSA-K Synonym: aluminum trifluoromethanesulfonate,aluminum triflate,aluminum triflate,aluminum tris trifluoromethanesulfonate,aluminum trifluoromethanesulphonate,aluminum 3+ tritriflate,aluminum trifluoromethanesulfonate,aluminum iii triflate,aluminum iii triflate,aluminum tris fluoranyl methanesulfonate PubChem CID: 2737634 IUPAC Name: aluminum;trifluoromethanesulfonate SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Al+3]
| PubChem CID | 2737634 |
|---|---|
| CAS | 74974-61-1 |
| Molecular Weight (g/mol) | 474.171 |
| MDL Number | MFCD00143596 |
| SMILES | C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].[Al+3] |
| Synonym | aluminum trifluoromethanesulfonate,aluminum triflate,aluminum triflate,aluminum tris trifluoromethanesulfonate,aluminum trifluoromethanesulphonate,aluminum 3+ tritriflate,aluminum trifluoromethanesulfonate,aluminum iii triflate,aluminum iii triflate,aluminum tris fluoranyl methanesulfonate |
| IUPAC Name | aluminum;trifluoromethanesulfonate |
| InChI Key | FKOASGGZYSYPBI-UHFFFAOYSA-K |
| Molecular Formula | C3AlF9O9S3 |
Methyl 2-butynoate, 97%
CAS: 23326-27-4 Molecular Formula: C5H6O2 Molecular Weight (g/mol): 98.1 MDL Number: MFCD00009273 InChI Key: UJQCANQILFWSDJ-UHFFFAOYSA-N Synonym: methyl 2-butynoate,methyl tetrolate,2-butynoic acid, methyl ester,2-butynoic acid methyl ester,tetrolic acid methyl ester,but-2-ynoic acid methyl ester,methyl2-butynoate,methyl 2-butynoate ?,pubchem12783,acmc-1ceil PubChem CID: 141019 IUPAC Name: methyl but-2-ynoate SMILES: CC#CC(=O)OC
| PubChem CID | 141019 |
|---|---|
| CAS | 23326-27-4 |
| Molecular Weight (g/mol) | 98.1 |
| MDL Number | MFCD00009273 |
| SMILES | CC#CC(=O)OC |
| Synonym | methyl 2-butynoate,methyl tetrolate,2-butynoic acid, methyl ester,2-butynoic acid methyl ester,tetrolic acid methyl ester,but-2-ynoic acid methyl ester,methyl2-butynoate,methyl 2-butynoate ?,pubchem12783,acmc-1ceil |
| IUPAC Name | methyl but-2-ynoate |
| InChI Key | UJQCANQILFWSDJ-UHFFFAOYSA-N |
| Molecular Formula | C5H6O2 |
Fusaric acid, For HPLC derivatization (HPLC), ≥99.0% (HPLC), MilliporeSigma™ Supelco™
MDL Number: MFCD00006298 Synonym: 5-Butylpicolinic acid; 5-Butylpyridine-2-carboxylic acid
| MDL Number | MFCD00006298 |
|---|---|
| Synonym | 5-Butylpicolinic acid; 5-Butylpyridine-2-carboxylic acid |
Methyl DL-2-bromopropionate, 99%
CAS: 5445-17-0 Molecular Formula: C4H7BrO2 Molecular Weight (g/mol): 167 MDL Number: MFCD00000143 InChI Key: ACEONLNNWKIPTM-UHFFFAOYSA-N PubChem CID: 95576 IUPAC Name: methyl 2-bromopropanoate SMILES: CC(C(=O)OC)Br
| PubChem CID | 95576 |
|---|---|
| CAS | 5445-17-0 |
| Molecular Weight (g/mol) | 167 |
| MDL Number | MFCD00000143 |
| SMILES | CC(C(=O)OC)Br |
| IUPAC Name | methyl 2-bromopropanoate |
| InChI Key | ACEONLNNWKIPTM-UHFFFAOYSA-N |
| Molecular Formula | C4H7BrO2 |
1-Hydroxyethylidenebis(phosphonic acid), 96%
CAS: 2809-21-4 Molecular Formula: C2H8O7P2 Molecular Weight (g/mol): 206.027 MDL Number: MFCD00070585 InChI Key: DBVJJBKOTRCVKF-UHFFFAOYSA-N Synonym: etidronic acid,etidronate,hedp,1-hydroxyethylidene-1,1-diphosphonic acid,ehdp,etidronsaeure,acetodiphosphonic acid,hydroxyethanediphosphonic acid,oxyethylidenediphosphonic acid,turpinal sl PubChem CID: 3305 ChEBI: CHEBI:4907 IUPAC Name: (1-hydroxy-1-phosphonoethyl)phosphonic acid SMILES: CC(O)(P(=O)(O)O)P(=O)(O)O
| PubChem CID | 3305 |
|---|---|
| CAS | 2809-21-4 |
| Molecular Weight (g/mol) | 206.027 |
| ChEBI | CHEBI:4907 |
| MDL Number | MFCD00070585 |
| SMILES | CC(O)(P(=O)(O)O)P(=O)(O)O |
| Synonym | etidronic acid,etidronate,hedp,1-hydroxyethylidene-1,1-diphosphonic acid,ehdp,etidronsaeure,acetodiphosphonic acid,hydroxyethanediphosphonic acid,oxyethylidenediphosphonic acid,turpinal sl |
| IUPAC Name | (1-hydroxy-1-phosphonoethyl)phosphonic acid |
| InChI Key | DBVJJBKOTRCVKF-UHFFFAOYSA-N |
| Molecular Formula | C2H8O7P2 |
5-Chloropyridine-2-boronic acid, 95%
CAS: 652148-91-9 Molecular Formula: C5H5BClNO2 Molecular Weight (g/mol): 157.36 MDL Number: MFCD07368862 InChI Key: JEGHCYRKSUGHJH-UHFFFAOYSA-N Synonym: 5-chloro-2-pyridineboronic acid,5-chloropyridine-2-boronic acid,5-chloropyridin-2-yl boronic acid,2-borono-5-chloropyridine,5-chloropyridine-2-boronicacid,3-chloropyridine-6-boronic acid,5-chloro-2-pyridyl boronic acid,boronic acid, 5-chloro-2-pyridinyl,pubchem13568,acmc-209npx PubChem CID: 22832086 IUPAC Name: (5-chloropyridin-2-yl)boronic acid SMILES: B(C1=NC=C(C=C1)Cl)(O)O
| PubChem CID | 22832086 |
|---|---|
| CAS | 652148-91-9 |
| Molecular Weight (g/mol) | 157.36 |
| MDL Number | MFCD07368862 |
| SMILES | B(C1=NC=C(C=C1)Cl)(O)O |
| Synonym | 5-chloro-2-pyridineboronic acid,5-chloropyridine-2-boronic acid,5-chloropyridin-2-yl boronic acid,2-borono-5-chloropyridine,5-chloropyridine-2-boronicacid,3-chloropyridine-6-boronic acid,5-chloro-2-pyridyl boronic acid,boronic acid, 5-chloro-2-pyridinyl,pubchem13568,acmc-209npx |
| IUPAC Name | (5-chloropyridin-2-yl)boronic acid |
| InChI Key | JEGHCYRKSUGHJH-UHFFFAOYSA-N |
| Molecular Formula | C5H5BClNO2 |
N,N-Dimethylformamide di-tert-butyl Acetal, tech. 90%
CAS: 36805-97-7 Molecular Formula: C11H25NO2 Molecular Weight (g/mol): 203.326 MDL Number: MFCD00015002 InChI Key: DBNQIOANXZVWIP-UHFFFAOYSA-N Synonym: n,n-dimethylformamide di-tert-butyl acetal,1,1-di-tert-butoxytrimethylamine,1,1-di-tert-butoxy-n,n-dimethylmethanamine,bis tert-butoxy methyl dimethylamine,1,1-bis 1,1-dimethylethoxy-n,n,n-trimethylamine,di-tert-butoxymethyldimethylamine,n,n-dimethylformamide di-t-butyl acetal,methanamine, 1,1-bis 1,1-dimethylethoxy-n,n-dimethyl,1,1-ditert-butoxy-n,n-dimethylmethanamine,1,1-di-tert-butoxy-n,n-dimethylmethylamine PubChem CID: 547712 IUPAC Name: N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine SMILES: CC(C)(C)OC(N(C)C)OC(C)(C)C
| PubChem CID | 547712 |
|---|---|
| CAS | 36805-97-7 |
| Molecular Weight (g/mol) | 203.326 |
| MDL Number | MFCD00015002 |
| SMILES | CC(C)(C)OC(N(C)C)OC(C)(C)C |
| Synonym | n,n-dimethylformamide di-tert-butyl acetal,1,1-di-tert-butoxytrimethylamine,1,1-di-tert-butoxy-n,n-dimethylmethanamine,bis tert-butoxy methyl dimethylamine,1,1-bis 1,1-dimethylethoxy-n,n,n-trimethylamine,di-tert-butoxymethyldimethylamine,n,n-dimethylformamide di-t-butyl acetal,methanamine, 1,1-bis 1,1-dimethylethoxy-n,n-dimethyl,1,1-ditert-butoxy-n,n-dimethylmethanamine,1,1-di-tert-butoxy-n,n-dimethylmethylamine |
| IUPAC Name | N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine |
| InChI Key | DBNQIOANXZVWIP-UHFFFAOYSA-N |
| Molecular Formula | C11H25NO2 |