Organic acids and derivatives
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Sodium 1-nonanesulfonate, 98+%
CAS: 35192-74-6 Molecular Formula: C9H19NaO3S Molecular Weight (g/mol): 230.298 MDL Number: MFCD00025010 InChI Key: RUYRDULZOKULPK-UHFFFAOYSA-M Synonym: sodium nonane-1-sulfonate,sodium 1-nonanesulfonate,1-nonanesulfonic acid sodium salt,1-nonanesulfonic acid, sodium salt,sodium nonylsulfonate,sodium 1-nonanesulphonate,ipc-alks-9,1-eeie>>cea aaeni,c9h19o3s.na,potassium nonane-1-sulfonate PubChem CID: 23664777 IUPAC Name: sodium;nonane-1-sulfonate SMILES: CCCCCCCCCS(=O)(=O)[O-].[Na+]
| PubChem CID | 23664777 |
|---|---|
| CAS | 35192-74-6 |
| Molecular Weight (g/mol) | 230.298 |
| MDL Number | MFCD00025010 |
| SMILES | CCCCCCCCCS(=O)(=O)[O-].[Na+] |
| Synonym | sodium nonane-1-sulfonate,sodium 1-nonanesulfonate,1-nonanesulfonic acid sodium salt,1-nonanesulfonic acid, sodium salt,sodium nonylsulfonate,sodium 1-nonanesulphonate,ipc-alks-9,1-eeie>>cea aaeni,c9h19o3s.na,potassium nonane-1-sulfonate |
| IUPAC Name | sodium;nonane-1-sulfonate |
| InChI Key | RUYRDULZOKULPK-UHFFFAOYSA-M |
| Molecular Formula | C9H19NaO3S |
Mercaptoacetic acid sodium salt, 97%
CAS: 367-51-1 Molecular Formula: C2H3NaO2S Molecular Weight (g/mol): 114.094 MDL Number: MFCD00043386 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 |
| MDL Number | MFCD00043386 |
| 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 |
trans-3-(3-Pyridyl)acrylic acid, 99%
CAS: 19337-97-4 Molecular Formula: C8H7NO2 Molecular Weight (g/mol): 149.149 MDL Number: MFCD00006410 InChI Key: VUVORVXMOLQFMO-ONEGZZNKSA-N Synonym: 3-3-pyridyl acrylic acid,trans-3-3-pyridyl acrylic acid,e-3-pyridin-3-yl acrylic acid,3-pyridylacrylic acid,2e-3-pyridin-3-ylacrylic acid,2e-3-pyridin-3-yl prop-2-enoic acid,3-pyridin-3-yl acrylic acid,trans-3-3'-pyridyl acrylic acid,3-3-pyridinyl acrylic acid,3-pyridinyl-acrylic acid PubChem CID: 776396 IUPAC Name: (E)-3-pyridin-3-ylprop-2-enoic acid SMILES: C1=CC(=CN=C1)C=CC(=O)O
| PubChem CID | 776396 |
|---|---|
| CAS | 19337-97-4 |
| Molecular Weight (g/mol) | 149.149 |
| MDL Number | MFCD00006410 |
| SMILES | C1=CC(=CN=C1)C=CC(=O)O |
| Synonym | 3-3-pyridyl acrylic acid,trans-3-3-pyridyl acrylic acid,e-3-pyridin-3-yl acrylic acid,3-pyridylacrylic acid,2e-3-pyridin-3-ylacrylic acid,2e-3-pyridin-3-yl prop-2-enoic acid,3-pyridin-3-yl acrylic acid,trans-3-3'-pyridyl acrylic acid,3-3-pyridinyl acrylic acid,3-pyridinyl-acrylic acid |
| IUPAC Name | (E)-3-pyridin-3-ylprop-2-enoic acid |
| InChI Key | VUVORVXMOLQFMO-ONEGZZNKSA-N |
| Molecular Formula | C8H7NO2 |
Dimethyl oxalate, 99%
CAS: 553-90-2 Molecular Formula: C4H6O4 Molecular Weight (g/mol): 118.09 MDL Number: MFCD00008442 InChI Key: LOMVENUNSWAXEN-UHFFFAOYSA-N Synonym: methyl oxalate,ethanedioic acid, dimethyl ester,oxalic acid dimethyl ester,dimethyloxalate,oxalic acid, dimethyl ester,dimethyl ethanedioate,unii-iq3q79344s,ethanedioic acid, 1,2-dimethyl ester,dimethyl ethane-1,2-dioate,dimethyl ester of oxalic acid PubChem CID: 11120 ChEBI: CHEBI:6859 IUPAC Name: dimethyl oxalate SMILES: COC(=O)C(=O)OC
| PubChem CID | 11120 |
|---|---|
| CAS | 553-90-2 |
| Molecular Weight (g/mol) | 118.09 |
| ChEBI | CHEBI:6859 |
| MDL Number | MFCD00008442 |
| SMILES | COC(=O)C(=O)OC |
| Synonym | methyl oxalate,ethanedioic acid, dimethyl ester,oxalic acid dimethyl ester,dimethyloxalate,oxalic acid, dimethyl ester,dimethyl ethanedioate,unii-iq3q79344s,ethanedioic acid, 1,2-dimethyl ester,dimethyl ethane-1,2-dioate,dimethyl ester of oxalic acid |
| IUPAC Name | dimethyl oxalate |
| InChI Key | LOMVENUNSWAXEN-UHFFFAOYSA-N |
| Molecular Formula | C4H6O4 |
Cyclohexaneacetic acid, 98%
CAS: 5292-21-7 Molecular Formula: C8H14O2 Molecular Weight (g/mol): 142.20 MDL Number: MFCD00001518 InChI Key: LJOODBDWMQKMFB-UHFFFAOYSA-N Synonym: cyclohexylacetic acid,cyclohexaneacetic acid,cyclohexylethanoic acid,hexahydrophenylacetic acid,cyclohexyl acetic acid,unii-v43k3to0hn,fema no. 2347,cyclohexane-acetic acid,v43k3to0hn,cyclo-hexylacetic acid PubChem CID: 21363 ChEBI: CHEBI:37277 IUPAC Name: 2-cyclohexylacetic acid SMILES: OC(=O)CC1CCCCC1
| PubChem CID | 21363 |
|---|---|
| CAS | 5292-21-7 |
| Molecular Weight (g/mol) | 142.20 |
| ChEBI | CHEBI:37277 |
| MDL Number | MFCD00001518 |
| SMILES | OC(=O)CC1CCCCC1 |
| Synonym | cyclohexylacetic acid,cyclohexaneacetic acid,cyclohexylethanoic acid,hexahydrophenylacetic acid,cyclohexyl acetic acid,unii-v43k3to0hn,fema no. 2347,cyclohexane-acetic acid,v43k3to0hn,cyclo-hexylacetic acid |
| IUPAC Name | 2-cyclohexylacetic acid |
| InChI Key | LJOODBDWMQKMFB-UHFFFAOYSA-N |
| Molecular Formula | C8H14O2 |
N-Formylpiperidine, 99%
CAS: 2591-86-8 Molecular Formula: C6H11NO Molecular Weight (g/mol): 113.16 MDL Number: MFCD00006483 InChI Key: FEWLNYSYJNLUOO-UHFFFAOYSA-N Synonym: n-formylpiperidine,1-formylpiperidine,1-piperidinecarboxaldehyde,formylpiperidine,n-formylpiperidin,piperidinoformamide,piperidine-n-carbaldehyde,piperidine, 1-formyl,1-piperidinecarbaldehyde,unii-ziq29h6czg PubChem CID: 17429 ChEBI: CHEBI:42546 IUPAC Name: piperidine-1-carbaldehyde SMILES: C1CCN(CC1)C=O
| PubChem CID | 17429 |
|---|---|
| CAS | 2591-86-8 |
| Molecular Weight (g/mol) | 113.16 |
| ChEBI | CHEBI:42546 |
| MDL Number | MFCD00006483 |
| SMILES | C1CCN(CC1)C=O |
| Synonym | n-formylpiperidine,1-formylpiperidine,1-piperidinecarboxaldehyde,formylpiperidine,n-formylpiperidin,piperidinoformamide,piperidine-n-carbaldehyde,piperidine, 1-formyl,1-piperidinecarbaldehyde,unii-ziq29h6czg |
| IUPAC Name | piperidine-1-carbaldehyde |
| InChI Key | FEWLNYSYJNLUOO-UHFFFAOYSA-N |
| Molecular Formula | C6H11NO |
tert-Butyl bromoacetate, 99%
CAS: 5292-43-3 Molecular Formula: C6H11BrO2 Molecular Weight (g/mol): 195.06 MDL Number: MFCD00000188 InChI Key: BNWCETAHAJSBFG-UHFFFAOYSA-N Synonym: tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat PubChem CID: 79177 IUPAC Name: tert-butyl 2-bromoacetate SMILES: CC(C)(C)OC(=O)CBr
| PubChem CID | 79177 |
|---|---|
| CAS | 5292-43-3 |
| Molecular Weight (g/mol) | 195.06 |
| MDL Number | MFCD00000188 |
| SMILES | CC(C)(C)OC(=O)CBr |
| Synonym | tert-butyl bromoacetate,t-butyl bromoacetate,acetic acid, bromo-, 1,1-dimethylethyl ester,bromoacetic acid tert-butyl ester,tert-butylbromoacetate,acetic acid, bromo-, tert-butyl ester,brch2c o oc ch3 3,acetic acid, 2-bromo-, 1,1-dimethylethyl ester,bromo-acetic acid tert-butyl ester,tert-butylbromacetat |
| IUPAC Name | tert-butyl 2-bromoacetate |
| InChI Key | BNWCETAHAJSBFG-UHFFFAOYSA-N |
| Molecular Formula | C6H11BrO2 |
Methyl acrylate, 99%, stab. with ca 15ppm 4-methoxyphenol
CAS: 96-33-3 Molecular Formula: C4H6O2 Molecular Weight (g/mol): 86.09 MDL Number: MFCD00008627 InChI Key: BAPJBEWLBFYGME-UHFFFAOYSA-N Synonym: methyl acrylate,methylacrylate,acrylic acid methyl ester,2-propenoic acid, methyl ester,methyl 2-propenoate,methyl propenoate,methylacrylaat,metilacrilato,methyl-acrylat,methoxycarbonylethylene PubChem CID: 7294 ChEBI: CHEBI:82482 IUPAC Name: methyl prop-2-enoate SMILES: COC(=O)C=C
| PubChem CID | 7294 |
|---|---|
| CAS | 96-33-3 |
| Molecular Weight (g/mol) | 86.09 |
| ChEBI | CHEBI:82482 |
| MDL Number | MFCD00008627 |
| SMILES | COC(=O)C=C |
| Synonym | methyl acrylate,methylacrylate,acrylic acid methyl ester,2-propenoic acid, methyl ester,methyl 2-propenoate,methyl propenoate,methylacrylaat,metilacrilato,methyl-acrylat,methoxycarbonylethylene |
| IUPAC Name | methyl prop-2-enoate |
| InChI Key | BAPJBEWLBFYGME-UHFFFAOYSA-N |
| Molecular Formula | C4H6O2 |
1,3-Dichloro-5,5-dimethylhydantoin, 98%
CAS: 118-52-5 Molecular Formula: C5H6Cl2N2O2 Molecular Weight (g/mol): 197.015 MDL Number: MFCD00003190 InChI Key: KEQGZUUPPQEDPF-UHFFFAOYSA-N Synonym: 1,3-dichloro-5,5-dimethylhydantoin,dantoin,dactin,daktin,dichlorantin,omchlor,halane,hydan,hydantoin, dichlorodimethyl,hydan antiseptic PubChem CID: 8360 IUPAC Name: 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione SMILES: CC1(C(=O)N(C(=O)N1Cl)Cl)C
| PubChem CID | 8360 |
|---|---|
| CAS | 118-52-5 |
| Molecular Weight (g/mol) | 197.015 |
| MDL Number | MFCD00003190 |
| SMILES | CC1(C(=O)N(C(=O)N1Cl)Cl)C |
| Synonym | 1,3-dichloro-5,5-dimethylhydantoin,dantoin,dactin,daktin,dichlorantin,omchlor,halane,hydan,hydantoin, dichlorodimethyl,hydan antiseptic |
| IUPAC Name | 1,3-dichloro-5,5-dimethylimidazolidine-2,4-dione |
| InChI Key | KEQGZUUPPQEDPF-UHFFFAOYSA-N |
| Molecular Formula | C5H6Cl2N2O2 |
Cyanoacetic acid, 97%
CAS: 372-09-8 Molecular Formula: C3H3NO2 Molecular Weight (g/mol): 85.062 MDL Number: MFCD00002677 InChI Key: MLIREBYILWEBDM-UHFFFAOYSA-N Synonym: cyanoacetic acid,acetic acid, cyano,malonic mononitrile,acide cyanacetique,cyanessigsaeure,monocyanoacetic acid,malonic acid mononitrile,usaf kf-17,cyanoethanoic acid,kyselina kyanoctova PubChem CID: 9740 ChEBI: CHEBI:51889 IUPAC Name: 2-cyanoacetic acid SMILES: C(C#N)C(=O)O
| PubChem CID | 9740 |
|---|---|
| CAS | 372-09-8 |
| Molecular Weight (g/mol) | 85.062 |
| ChEBI | CHEBI:51889 |
| MDL Number | MFCD00002677 |
| SMILES | C(C#N)C(=O)O |
| Synonym | cyanoacetic acid,acetic acid, cyano,malonic mononitrile,acide cyanacetique,cyanessigsaeure,monocyanoacetic acid,malonic acid mononitrile,usaf kf-17,cyanoethanoic acid,kyselina kyanoctova |
| IUPAC Name | 2-cyanoacetic acid |
| InChI Key | MLIREBYILWEBDM-UHFFFAOYSA-N |
| Molecular Formula | C3H3NO2 |
Acrylic acid, low water content, 99.5%, stab. with ca 200ppm 4-methoxyphenol
CAS: 79-10-7 Molecular Formula: C3H4O2 Molecular Weight (g/mol): 72.063 MDL Number: MFCD00004367 InChI Key: NIXOWILDQLNWCW-UHFFFAOYSA-N Synonym: acrylic acid,2-propenoic acid,propenoic acid,vinylformic acid,acroleic acid,propene acid,ethylenecarboxylic acid,polyacrylate,propenoate,carbomer PubChem CID: 6581 ChEBI: CHEBI:18308 IUPAC Name: prop-2-enoic acid SMILES: C=CC(=O)O
| PubChem CID | 6581 |
|---|---|
| CAS | 79-10-7 |
| Molecular Weight (g/mol) | 72.063 |
| ChEBI | CHEBI:18308 |
| MDL Number | MFCD00004367 |
| SMILES | C=CC(=O)O |
| Synonym | acrylic acid,2-propenoic acid,propenoic acid,vinylformic acid,acroleic acid,propene acid,ethylenecarboxylic acid,polyacrylate,propenoate,carbomer |
| IUPAC Name | prop-2-enoic acid |
| InChI Key | NIXOWILDQLNWCW-UHFFFAOYSA-N |
| Molecular Formula | C3H4O2 |
Cyclohexanecarboxylic acid, 98%
CAS: 98-89-5 Molecular Formula: C7H12O2 Molecular Weight (g/mol): 128.17 MDL Number: MFCD00001461 InChI Key: NZNMSOFKMUBTKW-UHFFFAOYSA-N Synonym: hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid PubChem CID: 7413 ChEBI: CHEBI:36096 IUPAC Name: cyclohexanecarboxylic acid SMILES: C1CCC(CC1)C(=O)O
| PubChem CID | 7413 |
|---|---|
| CAS | 98-89-5 |
| Molecular Weight (g/mol) | 128.17 |
| ChEBI | CHEBI:36096 |
| MDL Number | MFCD00001461 |
| SMILES | C1CCC(CC1)C(=O)O |
| Synonym | hexahydrobenzoic acid,carboxycyclohexane,cyclohexanoic acid,cyclohexylcarboxylic acid,cyclohexylmethanoic acid,cyclohexylformic acid,benzoic acid, hexahydro,cyclohexancarbonsaeure,cyclohexane-1-carboxylate,cyclohexanecarboxylicacid |
| IUPAC Name | cyclohexanecarboxylic acid |
| InChI Key | NZNMSOFKMUBTKW-UHFFFAOYSA-N |
| Molecular Formula | C7H12O2 |
LiChropur™ Difluoroacetic Acid, MilliporeSigma™ Supelco™
CAS: 381-73-7 Molecular Formula: C2H2F2O2 Molecular Weight (g/mol): 96.03 MDL Number: MFCD00004220 InChI Key: PBWZKZYHONABLN-UHFFFAOYSA-N Synonym: DFA IUPAC Name: 2,2-difluoroacetic acid SMILES: OC(=O)C(F)F
| CAS | 381-73-7 |
|---|---|
| Molecular Weight (g/mol) | 96.03 |
| MDL Number | MFCD00004220 |
| SMILES | OC(=O)C(F)F |
| Synonym | DFA |
| IUPAC Name | 2,2-difluoroacetic acid |
| InChI Key | PBWZKZYHONABLN-UHFFFAOYSA-N |
| Molecular Formula | C2H2F2O2 |
Iron(III) oxalate hexahydrate
CAS: 166897-40-1 Molecular Formula: C6H12Fe2O18 Molecular Weight (g/mol): 483.834 MDL Number: MFCD00054430 InChI Key: FWXIZVVTJVNNRX-UHFFFAOYSA-H Synonym: ferric oxalate hexahydrate PubChem CID: 131849393 IUPAC Name: iron(3+);oxalate;hexahydrate SMILES: C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O.O.O.O.O.O.[Fe+3].[Fe+3]
| PubChem CID | 131849393 |
|---|---|
| CAS | 166897-40-1 |
| Molecular Weight (g/mol) | 483.834 |
| MDL Number | MFCD00054430 |
| SMILES | C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].C(=O)(C(=O)[O-])[O-].O.O.O.O.O.O.[Fe+3].[Fe+3] |
| Synonym | ferric oxalate hexahydrate |
| IUPAC Name | iron(3+);oxalate;hexahydrate |
| InChI Key | FWXIZVVTJVNNRX-UHFFFAOYSA-H |
| Molecular Formula | C6H12Fe2O18 |
Sodium 4-hydroxybenzenesulfonate dihydrate, 97%
CAS: 10580-19-5 Molecular Formula: C6H5O4S Molecular Weight (g/mol): 173.16 MDL Number: MFCD00044734,MFCD00150724 InChI Key: FEPBITJSIHRMRT-UHFFFAOYSA-M Synonym: sodium 4-hydroxybenzenesulfonate dihydrate,unii-5nh81n759q,phenol-4-sulfonic acid sodium salt dihydrate,4-hydroxybenzenesulfonic acid sodium salt dihydrate,benzenesulfonic acid, 4-hydroxy-, monosodium salt, dihydrate,4-hydroxybenzenesulfonic acid sodium salt,sodium 4-hydroxybenzene-1-sulfonate dihydrate,phenolsulphonate sodium usp,acmc-2098hs,sodium p-phenolsulfonate dihydrate PubChem CID: 23666329 IUPAC Name: sodium;4-hydroxybenzenesulfonate;dihydrate SMILES: OC1=CC=C(C=C1)S([O-])(=O)=O
| PubChem CID | 23666329 |
|---|---|
| CAS | 10580-19-5 |
| Molecular Weight (g/mol) | 173.16 |
| MDL Number | MFCD00044734,MFCD00150724 |
| SMILES | OC1=CC=C(C=C1)S([O-])(=O)=O |
| Synonym | sodium 4-hydroxybenzenesulfonate dihydrate,unii-5nh81n759q,phenol-4-sulfonic acid sodium salt dihydrate,4-hydroxybenzenesulfonic acid sodium salt dihydrate,benzenesulfonic acid, 4-hydroxy-, monosodium salt, dihydrate,4-hydroxybenzenesulfonic acid sodium salt,sodium 4-hydroxybenzene-1-sulfonate dihydrate,phenolsulphonate sodium usp,acmc-2098hs,sodium p-phenolsulfonate dihydrate |
| IUPAC Name | sodium;4-hydroxybenzenesulfonate;dihydrate |
| InChI Key | FEPBITJSIHRMRT-UHFFFAOYSA-M |
| Molecular Formula | C6H5O4S |