Organic acids and derivatives
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Methyl formate, 97%, pure
CAS: 107-31-3 Molecular Formula: C2H4O2 Molecular Weight (g/mol): 60.05 MDL Number: MFCD00003291 InChI Key: TZIHFWKZFHZASV-UHFFFAOYSA-N Synonym: formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 PubChem CID: 7865 ChEBI: CHEBI:77699 IUPAC Name: methyl formate SMILES: COC=O
| PubChem CID | 7865 |
|---|---|
| CAS | 107-31-3 |
| Molecular Weight (g/mol) | 60.05 |
| ChEBI | CHEBI:77699 |
| MDL Number | MFCD00003291 |
| SMILES | COC=O |
| Synonym | formic acid, methyl ester,methyl methanoate,methylformiat,formic acid methyl ester,formiate de methyle,methylformiaat,mravencan methylnaty,methylformate,caswell no. 570,hcooch3 |
| IUPAC Name | methyl formate |
| InChI Key | TZIHFWKZFHZASV-UHFFFAOYSA-N |
| Molecular Formula | C2H4O2 |
Methyl 2-bromo-3-fluoropropionate, 97%
CAS: 1537-52-6 Molecular Formula: C4H6BrFO2 Molecular Weight (g/mol): 184.99 MDL Number: MFCD09800641 InChI Key: BXTYDNLOFHBZFS-UHFFFAOYNA-N Synonym: 2-bromo-3-fluoropropionic acid methyl ester,methyl 2-bromo-3-fluoropropionate,methyl 2-bromo-3-fluoro-propanoate,methyl alpha-bromo-beta-fluoropropionate,methyl 2-bromo-3-fluoroproprionate,propanoic acid, 2-bromo-3-fluoro-, methyl ester PubChem CID: 5271584 IUPAC Name: methyl 2-bromo-3-fluoropropanoate SMILES: COC(=O)C(Br)CF
| PubChem CID | 5271584 |
|---|---|
| CAS | 1537-52-6 |
| Molecular Weight (g/mol) | 184.99 |
| MDL Number | MFCD09800641 |
| SMILES | COC(=O)C(Br)CF |
| Synonym | 2-bromo-3-fluoropropionic acid methyl ester,methyl 2-bromo-3-fluoropropionate,methyl 2-bromo-3-fluoro-propanoate,methyl alpha-bromo-beta-fluoropropionate,methyl 2-bromo-3-fluoroproprionate,propanoic acid, 2-bromo-3-fluoro-, methyl ester |
| IUPAC Name | methyl 2-bromo-3-fluoropropanoate |
| InChI Key | BXTYDNLOFHBZFS-UHFFFAOYNA-N |
| Molecular Formula | C4H6BrFO2 |
Benzenesulfonic acid, 90%, technical
CAS: 98-11-3 Molecular Formula: C6H6O3S Molecular Weight (g/mol): 158.17 MDL Number: MFCD00011689 InChI Key: SRSXLGNVWSONIS-UHFFFAOYSA-N Synonym: benzenesulphonic acid,phenylsulfonic acid,besylic acid,benzene sulphonic acid,benzenemonosulfonic acid,benzene sulfonic acid,kyselina benzensulfonova,benzensulfonic acid,ccris 4595,kyselina benzensulfonova czech PubChem CID: 7371 ChEBI: CHEBI:64455 IUPAC Name: benzenesulfonic acid SMILES: C1=CC=C(C=C1)S(=O)(=O)O
| PubChem CID | 7371 |
|---|---|
| CAS | 98-11-3 |
| Molecular Weight (g/mol) | 158.17 |
| ChEBI | CHEBI:64455 |
| MDL Number | MFCD00011689 |
| SMILES | C1=CC=C(C=C1)S(=O)(=O)O |
| Synonym | benzenesulphonic acid,phenylsulfonic acid,besylic acid,benzene sulphonic acid,benzenemonosulfonic acid,benzene sulfonic acid,kyselina benzensulfonova,benzensulfonic acid,ccris 4595,kyselina benzensulfonova czech |
| IUPAC Name | benzenesulfonic acid |
| InChI Key | SRSXLGNVWSONIS-UHFFFAOYSA-N |
| Molecular Formula | C6H6O3S |
Pyridazine-3-carboxylic acid, 97%
CAS: 2164-61-6 Molecular Formula: C5H4N2O2 Molecular Weight (g/mol): 124.099 MDL Number: MFCD01646333 InChI Key: RUUOPSRRIKJHNH-UHFFFAOYSA-N Synonym: 3-pyridazinecarboxylic acid,3-carboxypyridazine,3-pyridazine carboxylic acid,pubchem22109,pyridazine carboxylic acid,ksc202q0p,pyridazine-3-carboxylic acid,3-carboxypyridazine; 3-pyridazinecarboxylic acid; PubChem CID: 269369 IUPAC Name: pyridazine-3-carboxylic acid SMILES: C1=CC(=NN=C1)C(=O)O
| PubChem CID | 269369 |
|---|---|
| CAS | 2164-61-6 |
| Molecular Weight (g/mol) | 124.099 |
| MDL Number | MFCD01646333 |
| SMILES | C1=CC(=NN=C1)C(=O)O |
| Synonym | 3-pyridazinecarboxylic acid,3-carboxypyridazine,3-pyridazine carboxylic acid,pubchem22109,pyridazine carboxylic acid,ksc202q0p,pyridazine-3-carboxylic acid,3-carboxypyridazine; 3-pyridazinecarboxylic acid; |
| IUPAC Name | pyridazine-3-carboxylic acid |
| InChI Key | RUUOPSRRIKJHNH-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O2 |
Oxamic acid sodium salt, 98%
CAS: 565-73-1 Molecular Formula: C2H2NNaO3 Molecular Weight (g/mol): 111.032 MDL Number: MFCD00044553 InChI Key: RQVZIJIQDCGIKI-UHFFFAOYSA-M Synonym: sodium oxamate,oxamic acid sodium salt,sodium 2-amino-2-oxoacetate,oxamic acid, sodium salt,sodium amino oxo acetate,acetic acid, aminooxo-, monosodium salt,oxalic acid monoamide sodium salt,acetic acid, 2-amino-2-oxo-, sodium salt 1:1,oxamic acid sodium,lopac-o-2751 PubChem CID: 5242 IUPAC Name: sodium;oxamate SMILES: C(=O)(C(=O)[O-])N.[Na+]
| PubChem CID | 5242 |
|---|---|
| CAS | 565-73-1 |
| Molecular Weight (g/mol) | 111.032 |
| MDL Number | MFCD00044553 |
| SMILES | C(=O)(C(=O)[O-])N.[Na+] |
| Synonym | sodium oxamate,oxamic acid sodium salt,sodium 2-amino-2-oxoacetate,oxamic acid, sodium salt,sodium amino oxo acetate,acetic acid, aminooxo-, monosodium salt,oxalic acid monoamide sodium salt,acetic acid, 2-amino-2-oxo-, sodium salt 1:1,oxamic acid sodium,lopac-o-2751 |
| IUPAC Name | sodium;oxamate |
| InChI Key | RQVZIJIQDCGIKI-UHFFFAOYSA-M |
| Molecular Formula | C2H2NNaO3 |
Thermo Scientific Chemicals N-tert-Butylacrylamide, 97%, pure
CAS: 107-58-4 Molecular Formula: C7H13NO Molecular Weight (g/mol): 127.19 MDL Number: MFCD00026271 InChI Key: XFHJDMUEHUHAJW-UHFFFAOYSA-N Synonym: n-tert-butylacrylamide,tert-butylacrylamide,n-tert-butyl acrylamide,2-propenamide, n-1,1-dimethylethyl,acrylamide, n-tert-butyl,n-t-butylacrylamide,unii-xj13fsh48k,n-1,1-dimethylethyl-2-propenamide,xj13fsh48k,n-tert-butyl prop-2-enamide PubChem CID: 7877 IUPAC Name: N-tert-butylprop-2-enamide SMILES: CC(C)(C)NC(=O)C=C
| PubChem CID | 7877 |
|---|---|
| CAS | 107-58-4 |
| Molecular Weight (g/mol) | 127.19 |
| MDL Number | MFCD00026271 |
| SMILES | CC(C)(C)NC(=O)C=C |
| Synonym | n-tert-butylacrylamide,tert-butylacrylamide,n-tert-butyl acrylamide,2-propenamide, n-1,1-dimethylethyl,acrylamide, n-tert-butyl,n-t-butylacrylamide,unii-xj13fsh48k,n-1,1-dimethylethyl-2-propenamide,xj13fsh48k,n-tert-butyl prop-2-enamide |
| IUPAC Name | N-tert-butylprop-2-enamide |
| InChI Key | XFHJDMUEHUHAJW-UHFFFAOYSA-N |
| Molecular Formula | C7H13NO |
5-Chloropyridine-3-boronic acid, 95%
CAS: 872041-85-5 Molecular Formula: C5H5BClNO2 Molecular Weight (g/mol): 157.36 MDL Number: MFCD06798243 InChI Key: NJXYBTMCTZAUEE-UHFFFAOYSA-N Synonym: 5-chloropyridine-3-boronic acid,5-chloropyridin-3-yl boronic acid,5-chloro-3-pyridineboronic acid,3-chloropyridine-5-boronic acid,5-chloro-3-pyridinyl boronic acid,5-chloro-3-pyridyl boronic acid,5-chloropyridin-3-yl-3-boronic acid,3-chloro-5-pyridyl boronic acid,5-chloro-3-pyridineboronicacid,pubchem17397 PubChem CID: 20111877 IUPAC Name: (5-chloropyridin-3-yl)boronic acid SMILES: OB(O)C1=CC(Cl)=CN=C1
| PubChem CID | 20111877 |
|---|---|
| CAS | 872041-85-5 |
| Molecular Weight (g/mol) | 157.36 |
| MDL Number | MFCD06798243 |
| SMILES | OB(O)C1=CC(Cl)=CN=C1 |
| Synonym | 5-chloropyridine-3-boronic acid,5-chloropyridin-3-yl boronic acid,5-chloro-3-pyridineboronic acid,3-chloropyridine-5-boronic acid,5-chloro-3-pyridinyl boronic acid,5-chloro-3-pyridyl boronic acid,5-chloropyridin-3-yl-3-boronic acid,3-chloro-5-pyridyl boronic acid,5-chloro-3-pyridineboronicacid,pubchem17397 |
| IUPAC Name | (5-chloropyridin-3-yl)boronic acid |
| InChI Key | NJXYBTMCTZAUEE-UHFFFAOYSA-N |
| Molecular Formula | C5H5BClNO2 |
Methyl isopropyl carbonate, 97%
CAS: 51729-83-0 Molecular Formula: C5H10O3 Molecular Weight (g/mol): 118.13 MDL Number: MFCD01075689 InChI Key: RCIJMMSZBQEWKW-UHFFFAOYSA-N Synonym: methyl isopropyl carbonate,isopropyl methyl carbonate,acmc-20akf7,ch3 c o och ch3 2,carbonic acid methylisopropyl ester PubChem CID: 7021530 IUPAC Name: methyl propan-2-yl carbonate SMILES: COC(=O)OC(C)C
| PubChem CID | 7021530 |
|---|---|
| CAS | 51729-83-0 |
| Molecular Weight (g/mol) | 118.13 |
| MDL Number | MFCD01075689 |
| SMILES | COC(=O)OC(C)C |
| Synonym | methyl isopropyl carbonate,isopropyl methyl carbonate,acmc-20akf7,ch3 c o och ch3 2,carbonic acid methylisopropyl ester |
| IUPAC Name | methyl propan-2-yl carbonate |
| InChI Key | RCIJMMSZBQEWKW-UHFFFAOYSA-N |
| Molecular Formula | C5H10O3 |
Diethyl difluoromalonate, 97%
CAS: 680-65-9 Molecular Formula: C7H10F2O4 Molecular Weight (g/mol): 196.15 MDL Number: MFCD00221617 InChI Key: WCRVWLHTROHXBB-UHFFFAOYSA-N Synonym: diethyl 2,2-difluoromalonate,diethyl difluoromalonate,2,2-difluoro-malonic acid diethyl ester,1,3-diethyl 2,2-difluoropropanedioate,difluoromalonic acid diethyl ester,diethyl2,2-difluoromalonate,propanedioic acid, 2,2-difluoro-, 1,3-diethyl ester,propanedioic acid, difluoro-, diethyl ester,diethyl 2,2-difluoromalonate #,diethyl2,2-difluoropropanedioatev PubChem CID: 260648 IUPAC Name: diethyl 2,2-difluoropropanedioate SMILES: CCOC(=O)C(F)(F)C(=O)OCC
| PubChem CID | 260648 |
|---|---|
| CAS | 680-65-9 |
| Molecular Weight (g/mol) | 196.15 |
| MDL Number | MFCD00221617 |
| SMILES | CCOC(=O)C(F)(F)C(=O)OCC |
| Synonym | diethyl 2,2-difluoromalonate,diethyl difluoromalonate,2,2-difluoro-malonic acid diethyl ester,1,3-diethyl 2,2-difluoropropanedioate,difluoromalonic acid diethyl ester,diethyl2,2-difluoromalonate,propanedioic acid, 2,2-difluoro-, 1,3-diethyl ester,propanedioic acid, difluoro-, diethyl ester,diethyl 2,2-difluoromalonate #,diethyl2,2-difluoropropanedioatev |
| IUPAC Name | diethyl 2,2-difluoropropanedioate |
| InChI Key | WCRVWLHTROHXBB-UHFFFAOYSA-N |
| Molecular Formula | C7H10F2O4 |
Allyl chloroacetate, 98%
CAS: 2916-14-5 Molecular Formula: C5H7ClO2 Molecular Weight (g/mol): 134.559 MDL Number: MFCD00058936 InChI Key: VMBJJCDVORDOCF-UHFFFAOYSA-N Synonym: allyl chloroacetate,allyl 2-chloroacetate,chloroacetic acid allyl ester,acetic acid, chloro-, 2-propenyl ester,prop-2-en-1-yl 2-chloroacetate,acetic acid, chloro-, allyl ester,allyl monochloroacetate,acmc-1cffa,chloroacetic acid,2-propenyl ester PubChem CID: 76206 IUPAC Name: prop-2-enyl 2-chloroacetate SMILES: C=CCOC(=O)CCl
| PubChem CID | 76206 |
|---|---|
| CAS | 2916-14-5 |
| Molecular Weight (g/mol) | 134.559 |
| MDL Number | MFCD00058936 |
| SMILES | C=CCOC(=O)CCl |
| Synonym | allyl chloroacetate,allyl 2-chloroacetate,chloroacetic acid allyl ester,acetic acid, chloro-, 2-propenyl ester,prop-2-en-1-yl 2-chloroacetate,acetic acid, chloro-, allyl ester,allyl monochloroacetate,acmc-1cffa,chloroacetic acid,2-propenyl ester |
| IUPAC Name | prop-2-enyl 2-chloroacetate |
| InChI Key | VMBJJCDVORDOCF-UHFFFAOYSA-N |
| Molecular Formula | C5H7ClO2 |
1-(Trifluoromethyl)vinyl acetate, 97%
CAS: 2247-91-8 Molecular Formula: C5H5F3O2 Molecular Weight (g/mol): 154.088 MDL Number: MFCD00040844 InChI Key: VOKGSDIHTCTXDS-UHFFFAOYSA-N Synonym: 1-trifluoromethyl vinyl acetate,1-trifluoromethyl ethenyl acetate,1-propen-2-ol, 3,3,3-trifluoro-, acetate,1-propen-2-ol, 3,3,3-trifluoro-, 2-acetate,trifluoroacetone enol acetate,trifluoroacetone enolacetate,alpha-trifluoromethylvinyl acetate,acmc-1cjli,3,3,3-trifluoropropen-2-yl acetate,alpa-trifluoromethyl vinyl acetate PubChem CID: 75254 IUPAC Name: 3,3,3-trifluoroprop-1-en-2-yl acetate SMILES: CC(=O)OC(=C)C(F)(F)F
| PubChem CID | 75254 |
|---|---|
| CAS | 2247-91-8 |
| Molecular Weight (g/mol) | 154.088 |
| MDL Number | MFCD00040844 |
| SMILES | CC(=O)OC(=C)C(F)(F)F |
| Synonym | 1-trifluoromethyl vinyl acetate,1-trifluoromethyl ethenyl acetate,1-propen-2-ol, 3,3,3-trifluoro-, acetate,1-propen-2-ol, 3,3,3-trifluoro-, 2-acetate,trifluoroacetone enol acetate,trifluoroacetone enolacetate,alpha-trifluoromethylvinyl acetate,acmc-1cjli,3,3,3-trifluoropropen-2-yl acetate,alpa-trifluoromethyl vinyl acetate |
| IUPAC Name | 3,3,3-trifluoroprop-1-en-2-yl acetate |
| InChI Key | VOKGSDIHTCTXDS-UHFFFAOYSA-N |
| Molecular Formula | C5H5F3O2 |
EDTA, Dipotassium Salt Dihydrate, MP Biomedicals
CAS: 2001-94-7 Molecular Formula: C10H16K2N2O8 Molecular Weight (g/mol): 370.441 InChI Key: MGDKBCNOUDORNI-UHFFFAOYSA-N Synonym: dipotassium dihydrogen ethylenediaminetetraacetate PubChem CID: 87063472 IUPAC Name: 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;potassium SMILES: C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[K].[K]
| PubChem CID | 87063472 |
|---|---|
| CAS | 2001-94-7 |
| Molecular Weight (g/mol) | 370.441 |
| SMILES | C(CN(CC(=O)O)CC(=O)O)N(CC(=O)O)CC(=O)O.[K].[K] |
| Synonym | dipotassium dihydrogen ethylenediaminetetraacetate |
| IUPAC Name | 2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;potassium |
| InChI Key | MGDKBCNOUDORNI-UHFFFAOYSA-N |
| Molecular Formula | C10H16K2N2O8 |
Methyl 3-phenylpropionate, 98%
CAS: 103-25-3 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00017209 InChI Key: RPUSRLKKXPQSGP-UHFFFAOYSA-N Synonym: methyl 3-phenylpropionate,methyl hydrocinnamate,benzenepropanoic acid, methyl ester,3-phenylpropionic acid methyl ester,methyl benzenepropanoate,hydrocinnamic acid, methyl ester,methyl dihydrocinnamate,methyl beta-phenylpropionate,methyl b-phenylpropionate,unii-111lc1gi10 PubChem CID: 7643 IUPAC Name: methyl 3-phenylpropanoate SMILES: COC(=O)CCC1=CC=CC=C1
| PubChem CID | 7643 |
|---|---|
| CAS | 103-25-3 |
| Molecular Weight (g/mol) | 164.204 |
| MDL Number | MFCD00017209 |
| SMILES | COC(=O)CCC1=CC=CC=C1 |
| Synonym | methyl 3-phenylpropionate,methyl hydrocinnamate,benzenepropanoic acid, methyl ester,3-phenylpropionic acid methyl ester,methyl benzenepropanoate,hydrocinnamic acid, methyl ester,methyl dihydrocinnamate,methyl beta-phenylpropionate,methyl b-phenylpropionate,unii-111lc1gi10 |
| IUPAC Name | methyl 3-phenylpropanoate |
| InChI Key | RPUSRLKKXPQSGP-UHFFFAOYSA-N |
| Molecular Formula | C10H12O2 |
Sodium Valproate , MP Biomedicals, LLC
CAS: 1069-66-5 Molecular Formula: C8H15NaO2 Molecular Weight (g/mol): 166.20 InChI Key: AEQFSUDEHCCHBT-UHFFFAOYSA-M Synonym: sodium valproate,sodium 2-propylpentanoate,valproate sodium,valproic acid sodium salt,eurekene,labazene,orfiril,epilim,valproic acid sodium,valerin PubChem CID: 16760703 ChEBI: CHEBI:9925
| PubChem CID | 16760703 |
|---|---|
| CAS | 1069-66-5 |
| Molecular Weight (g/mol) | 166.20 |
| ChEBI | CHEBI:9925 |
| Synonym | sodium valproate,sodium 2-propylpentanoate,valproate sodium,valproic acid sodium salt,eurekene,labazene,orfiril,epilim,valproic acid sodium,valerin |
| InChI Key | AEQFSUDEHCCHBT-UHFFFAOYSA-M |
| Molecular Formula | C8H15NaO2 |
Isethionic acid sodium salt, 98%
CAS: 1562-00-1 Molecular Formula: C2H5NaO4S Molecular Weight (g/mol): 148.108 MDL Number: MFCD00007534 InChI Key: LADXKQRVAFSPTR-UHFFFAOYSA-M Synonym: sodium 2-hydroxyethanesulfonate,sodium isethionate,isethionic acid sodium salt,2-hydroxyethanesulfonic acid sodium salt,sodium hydroxyethylsulfonate,ethanesulfonic acid, 2-hydroxy-, monosodium salt,sodium 2-hydroxyethylsulfonate,sodium 2-hydroxyethanesulphonate,sodium beta-hydroxyethanesulfonate,sodium 1-hydroxy-2-ethanesulfonate PubChem CID: 517063 IUPAC Name: sodium;2-hydroxyethanesulfonate SMILES: C(CS(=O)(=O)[O-])O.[Na+]
| PubChem CID | 517063 |
|---|---|
| CAS | 1562-00-1 |
| Molecular Weight (g/mol) | 148.108 |
| MDL Number | MFCD00007534 |
| SMILES | C(CS(=O)(=O)[O-])O.[Na+] |
| Synonym | sodium 2-hydroxyethanesulfonate,sodium isethionate,isethionic acid sodium salt,2-hydroxyethanesulfonic acid sodium salt,sodium hydroxyethylsulfonate,ethanesulfonic acid, 2-hydroxy-, monosodium salt,sodium 2-hydroxyethylsulfonate,sodium 2-hydroxyethanesulphonate,sodium beta-hydroxyethanesulfonate,sodium 1-hydroxy-2-ethanesulfonate |
| IUPAC Name | sodium;2-hydroxyethanesulfonate |
| InChI Key | LADXKQRVAFSPTR-UHFFFAOYSA-M |
| Molecular Formula | C2H5NaO4S |