Organic acids and derivatives
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Taurine, ≥98.5%, Molecular Biology Grade, Ultrapure
CAS: 107-35-7 Molecular Formula: C2H7NO3S Molecular Weight (g/mol): 125.14 MDL Number: MFCD00008197 InChI Key: XOAAWQZATWQOTB-UHFFFAOYSA-N Synonym: taurine,tauphon,ethanesulfonic acid, 2-amino,l-taurine,2-aminoethylsulfonic acid,o-due,2-sulfoethylamine,taufon,aminoethanesulfonic acid,aminoethylsulfonic acid PubChem CID: 1123 ChEBI: CHEBI:15891 IUPAC Name: 2-aminoethanesulfonic acid SMILES: NCCS(O)(=O)=O
| PubChem CID | 1123 |
|---|---|
| CAS | 107-35-7 |
| Molecular Weight (g/mol) | 125.14 |
| ChEBI | CHEBI:15891 |
| MDL Number | MFCD00008197 |
| SMILES | NCCS(O)(=O)=O |
| Synonym | taurine,tauphon,ethanesulfonic acid, 2-amino,l-taurine,2-aminoethylsulfonic acid,o-due,2-sulfoethylamine,taufon,aminoethanesulfonic acid,aminoethylsulfonic acid |
| IUPAC Name | 2-aminoethanesulfonic acid |
| InChI Key | XOAAWQZATWQOTB-UHFFFAOYSA-N |
| Molecular Formula | C2H7NO3S |
5-Keto-D-gluconic acid potassium salt, 98%
Molecular Formula: C6H10KO7 Molecular Weight (g/mol): 233.237 MDL Number: MFCD00069562 InChI Key: BJBNFUCYWPVFKM-YMDUGQBDSA-N Synonym: potassium 5-ketogluconate PubChem CID: 131855000 IUPAC Name: potassium;(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexanoic acid SMILES: C(C(=O)C(C(C(C(=O)O)O)O)O)O.[K]
| PubChem CID | 131855000 |
|---|---|
| Molecular Weight (g/mol) | 233.237 |
| MDL Number | MFCD00069562 |
| SMILES | C(C(=O)C(C(C(C(=O)O)O)O)O)O.[K] |
| Synonym | potassium 5-ketogluconate |
| IUPAC Name | potassium;(2R,3S,4S)-2,3,4,6-tetrahydroxy-5-oxohexanoic acid |
| InChI Key | BJBNFUCYWPVFKM-YMDUGQBDSA-N |
| Molecular Formula | C6H10KO7 |
Ethyl phenylpropiolate, 98+%
CAS: 2216-94-6 Molecular Formula: C11H10O2 Molecular Weight (g/mol): 174.199 MDL Number: MFCD00009185 InChI Key: ACJOYTKWHPEIHW-UHFFFAOYSA-N Synonym: ethyl phenylpropiolate,ethylphenylpropiolate,ethyl 3-phenylpropiolate,ethyl phenylpropriolate,2-propynoic acid, 3-phenyl-, ethyl ester,ethyl 3-phenylpropynoate,ethyl phenylpropynoate,ethyl phenylacetylenecarboxylate,phenylpropiolic acid ethyl ester,ethyl 3-phenyl-2-propynoate PubChem CID: 91516 IUPAC Name: ethyl 3-phenylprop-2-ynoate SMILES: CCOC(=O)C#CC1=CC=CC=C1
| PubChem CID | 91516 |
|---|---|
| CAS | 2216-94-6 |
| Molecular Weight (g/mol) | 174.199 |
| MDL Number | MFCD00009185 |
| SMILES | CCOC(=O)C#CC1=CC=CC=C1 |
| Synonym | ethyl phenylpropiolate,ethylphenylpropiolate,ethyl 3-phenylpropiolate,ethyl phenylpropriolate,2-propynoic acid, 3-phenyl-, ethyl ester,ethyl 3-phenylpropynoate,ethyl phenylpropynoate,ethyl phenylacetylenecarboxylate,phenylpropiolic acid ethyl ester,ethyl 3-phenyl-2-propynoate |
| IUPAC Name | ethyl 3-phenylprop-2-ynoate |
| InChI Key | ACJOYTKWHPEIHW-UHFFFAOYSA-N |
| Molecular Formula | C11H10O2 |
Nickel(II) citrate hydrate, 98%
CAS: 6018-92-4 Molecular Formula: C12H10Ni3O14 Molecular Weight (g/mol): 554.28 MDL Number: MFCD00054366 InChI Key: UPPLJLAHMKABPR-UHFFFAOYSA-H Synonym: nickel ii citrate hydrate PubChem CID: 131881812 IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid;nickel SMILES: [Ni++].[Ni++].[Ni++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O
| PubChem CID | 131881812 |
|---|---|
| CAS | 6018-92-4 |
| Molecular Weight (g/mol) | 554.28 |
| MDL Number | MFCD00054366 |
| SMILES | [Ni++].[Ni++].[Ni++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| Synonym | nickel ii citrate hydrate |
| IUPAC Name | 2-hydroxypropane-1,2,3-tricarboxylic acid;nickel |
| InChI Key | UPPLJLAHMKABPR-UHFFFAOYSA-H |
| Molecular Formula | C12H10Ni3O14 |
2-Bromoethyl acrylate, 94%, stab. with 900-1500ppm 4-methoxyphenol
CAS: 4823-47-6 Molecular Formula: C5H7BrO2 Molecular Weight (g/mol): 179.013 MDL Number: MFCD00013541 InChI Key: CDZAAIHWZYWBSS-UHFFFAOYSA-N PubChem CID: 20963 IUPAC Name: 2-bromoethyl prop-2-enoate SMILES: C=CC(=O)OCCBr
| PubChem CID | 20963 |
|---|---|
| CAS | 4823-47-6 |
| Molecular Weight (g/mol) | 179.013 |
| MDL Number | MFCD00013541 |
| SMILES | C=CC(=O)OCCBr |
| IUPAC Name | 2-bromoethyl prop-2-enoate |
| InChI Key | CDZAAIHWZYWBSS-UHFFFAOYSA-N |
| Molecular Formula | C5H7BrO2 |
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 |
3-Butynyl p-toluenesulfonate, 96%
CAS: 23418-85-1 Molecular Formula: C11H12O3S Molecular Weight (g/mol): 224.274 MDL Number: MFCD00041687 InChI Key: STOASOOVVADOKH-UHFFFAOYSA-N Synonym: 3-butynyl p-toluenesulfonate,but-3-yn-1-yl 4-methylbenzenesulfonate,3-butynyl tosylate,3-butynyl 4-toluenesulfonate,3-1-butynyl-4-toluenesulphonate,3-butynyl 4-methylbenzenesulfonate,p-toluenesulfonic acid 3-butynyl ester,but-3-ynyl tosylate,4-tosyloxy-1-butyne,acmc-1cgfq PubChem CID: 272020 IUPAC Name: but-3-ynyl 4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)OCCC#C
| PubChem CID | 272020 |
|---|---|
| CAS | 23418-85-1 |
| Molecular Weight (g/mol) | 224.274 |
| MDL Number | MFCD00041687 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC#C |
| Synonym | 3-butynyl p-toluenesulfonate,but-3-yn-1-yl 4-methylbenzenesulfonate,3-butynyl tosylate,3-butynyl 4-toluenesulfonate,3-1-butynyl-4-toluenesulphonate,3-butynyl 4-methylbenzenesulfonate,p-toluenesulfonic acid 3-butynyl ester,but-3-ynyl tosylate,4-tosyloxy-1-butyne,acmc-1cgfq |
| IUPAC Name | but-3-ynyl 4-methylbenzenesulfonate |
| InChI Key | STOASOOVVADOKH-UHFFFAOYSA-N |
| Molecular Formula | C11H12O3S |
1,1,1,3,3,3-Hexafluoroisopropyl acrylate, 98+%, stab. with 50ppm 4-methoxyphenol
CAS: 2160-89-6 Molecular Formula: C6H4F6O2 Molecular Weight (g/mol): 222.09 MDL Number: MFCD00040104 InChI Key: MNSWITGNWZSAMC-UHFFFAOYSA-N Synonym: 1,1,1,3,3,3-hexafluoroisopropyl acrylate,hexafluoroisopropyl acrylate,1,1,1,3,3,3-hexafluoropropan-2-yl acrylate,2-propenoic acid, 2,2,2-trifluoro-1-trifluoromethyl ethyl ester,acrylic acid 1,1,1,3,3,3-hexafluoroisopropyl ester,hexafluoro-2-propyl acrylate,mnswitgnwzsamc-uhfffaoysa,1h-1-trifluoromethyl trifluoroethyl acrylate PubChem CID: 75096 IUPAC Name: 1,1,1,3,3,3-hexafluoropropan-2-yl prop-2-enoate SMILES: FC(F)(F)C(OC(=O)C=C)C(F)(F)F
| PubChem CID | 75096 |
|---|---|
| CAS | 2160-89-6 |
| Molecular Weight (g/mol) | 222.09 |
| MDL Number | MFCD00040104 |
| SMILES | FC(F)(F)C(OC(=O)C=C)C(F)(F)F |
| Synonym | 1,1,1,3,3,3-hexafluoroisopropyl acrylate,hexafluoroisopropyl acrylate,1,1,1,3,3,3-hexafluoropropan-2-yl acrylate,2-propenoic acid, 2,2,2-trifluoro-1-trifluoromethyl ethyl ester,acrylic acid 1,1,1,3,3,3-hexafluoroisopropyl ester,hexafluoro-2-propyl acrylate,mnswitgnwzsamc-uhfffaoysa,1h-1-trifluoromethyl trifluoroethyl acrylate |
| IUPAC Name | 1,1,1,3,3,3-hexafluoropropan-2-yl prop-2-enoate |
| InChI Key | MNSWITGNWZSAMC-UHFFFAOYSA-N |
| Molecular Formula | C6H4F6O2 |
Tricarballylic acid, 99%
CAS: 99-14-9 Molecular Formula: C6H8O6 Molecular Weight (g/mol): 176.12 MDL Number: MFCD00002723 InChI Key: KQTIIICEAUMSDG-UHFFFAOYSA-N Synonym: tricarballylic acid,1,2,3-propanetricarboxylic acid,carballylic acid,tricarballylate,beta-carboxyglutaric acid,propane 1,2,3-tricarboxylic acid,unii-ra5qh2j020,3-carboxyglutaric acid,.beta.-carboxyglutaric acid,1,2,3-propanetricarboxylicacid PubChem CID: 14925 ChEBI: CHEBI:45969 IUPAC Name: propane-1,2,3-tricarboxylic acid SMILES: OC(=O)CC(CC(O)=O)C(O)=O
| PubChem CID | 14925 |
|---|---|
| CAS | 99-14-9 |
| Molecular Weight (g/mol) | 176.12 |
| ChEBI | CHEBI:45969 |
| MDL Number | MFCD00002723 |
| SMILES | OC(=O)CC(CC(O)=O)C(O)=O |
| Synonym | tricarballylic acid,1,2,3-propanetricarboxylic acid,carballylic acid,tricarballylate,beta-carboxyglutaric acid,propane 1,2,3-tricarboxylic acid,unii-ra5qh2j020,3-carboxyglutaric acid,.beta.-carboxyglutaric acid,1,2,3-propanetricarboxylicacid |
| IUPAC Name | propane-1,2,3-tricarboxylic acid |
| InChI Key | KQTIIICEAUMSDG-UHFFFAOYSA-N |
| Molecular Formula | C6H8O6 |
Methyl chloroacetate, 98%
CAS: 96-34-4 Molecular Formula: C3H5ClO2 Molecular Weight (g/mol): 108.52 MDL Number: MFCD00000931 InChI Key: QABLOFMHHSOFRJ-UHFFFAOYSA-N Synonym: methyl chloroacetate,chloroacetic acid methyl ester,methyl monochloroacetate,methyl chloroethanoate,acetic acid, chloro-, methyl ester,methyl monochloracetate,methyl alpha-chloroacetate,methylchloroacetate,unii-450vsb182i,ccris 7749 PubChem CID: 7295 IUPAC Name: methyl 2-chloroacetate SMILES: COC(=O)CCl
| PubChem CID | 7295 |
|---|---|
| CAS | 96-34-4 |
| Molecular Weight (g/mol) | 108.52 |
| MDL Number | MFCD00000931 |
| SMILES | COC(=O)CCl |
| Synonym | methyl chloroacetate,chloroacetic acid methyl ester,methyl monochloroacetate,methyl chloroethanoate,acetic acid, chloro-, methyl ester,methyl monochloracetate,methyl alpha-chloroacetate,methylchloroacetate,unii-450vsb182i,ccris 7749 |
| IUPAC Name | methyl 2-chloroacetate |
| InChI Key | QABLOFMHHSOFRJ-UHFFFAOYSA-N |
| Molecular Formula | C3H5ClO2 |
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 |
Triethyl 4-phosphonocrotonate, 92%, predominantly trans
CAS: 10236-14-3 Molecular Formula: C10H19O5P Molecular Weight (g/mol): 250.23 MDL Number: MFCD00009192 InChI Key: LXLODBXSCRTXFG-BQYQJAHWSA-N Synonym: triethyl 4-phosphonocrotonate,e-ethyl 4-diethoxyphosphoryl but-2-enoate,ethyl 4-diethoxyphosphoryl but-2-enoate,triethyl .gamma.-phosphonocrotonate,ethyl 4-diethylphosphono crotonate,ethyl 2e-4-diethoxyphosphoryl but-2-enoate,ethyl e-4-diethoxyphosphorylbut-2-enoate,ethyl 4-diethylphosphonocrotonate,ethyl trans-4-diethylphosphono crotonate,4-diethoxyphosphinyl crotonic acid ethyl ester PubChem CID: 5365783 SMILES: CCOC(=O)\C=C\CP(=O)(OCC)OCC
| PubChem CID | 5365783 |
|---|---|
| CAS | 10236-14-3 |
| Molecular Weight (g/mol) | 250.23 |
| MDL Number | MFCD00009192 |
| SMILES | CCOC(=O)\C=C\CP(=O)(OCC)OCC |
| Synonym | triethyl 4-phosphonocrotonate,e-ethyl 4-diethoxyphosphoryl but-2-enoate,ethyl 4-diethoxyphosphoryl but-2-enoate,triethyl .gamma.-phosphonocrotonate,ethyl 4-diethylphosphono crotonate,ethyl 2e-4-diethoxyphosphoryl but-2-enoate,ethyl e-4-diethoxyphosphorylbut-2-enoate,ethyl 4-diethylphosphonocrotonate,ethyl trans-4-diethylphosphono crotonate,4-diethoxyphosphinyl crotonic acid ethyl ester |
| InChI Key | LXLODBXSCRTXFG-BQYQJAHWSA-N |
| Molecular Formula | C10H19O5P |
4'-Chloroacetanilide, 97%
CAS: 539-03-7 MDL Number: MFCD00000612 InChI Key: GGUOCFNAWIODMF-UHFFFAOYSA-N Synonym: 4'-chloroacetanilide,n-4-chlorophenyl acetamide,4-chloroacetanilide,p-chloroacetanilide,n-acetyl-p-chloroaniline,acetamide, n-4-chlorophenyl,acetanilide, 4'-chloro,acetic-4-chloroanilide,n-p-chlorophenyl acetamide,n-4-chloro-phenyl-acetamide PubChem CID: 10871 ChEBI: CHEBI:116915 IUPAC Name: N-(4-chlorophenyl)acetamide SMILES: CC(=O)NC1=CC=C(C=C1)Cl
| PubChem CID | 10871 |
|---|---|
| CAS | 539-03-7 |
| ChEBI | CHEBI:116915 |
| MDL Number | MFCD00000612 |
| SMILES | CC(=O)NC1=CC=C(C=C1)Cl |
| Synonym | 4'-chloroacetanilide,n-4-chlorophenyl acetamide,4-chloroacetanilide,p-chloroacetanilide,n-acetyl-p-chloroaniline,acetamide, n-4-chlorophenyl,acetanilide, 4'-chloro,acetic-4-chloroanilide,n-p-chlorophenyl acetamide,n-4-chloro-phenyl-acetamide |
| IUPAC Name | N-(4-chlorophenyl)acetamide |
| InChI Key | GGUOCFNAWIODMF-UHFFFAOYSA-N |
Triethyl methanetricarboxylate, 98%
CAS: 6279-86-3 Molecular Formula: C10H16O6 Molecular Weight (g/mol): 232.23 InChI Key: AGZPNUZBDCYTBB-UHFFFAOYSA-N Synonym: tricarbethoxymethane,triethylmethanetricarboxylate,methanetricarboxylic acid, triethyl ester,2-ethoxycarbonyl-malonic acid diethyl ester,methanetricarboxylic acid triethyl ester,carboxymalonic acid triethyl ester,diethyl 2-ethoxycarbonyl malonate,diethyl 2-ethoxycarbonyl propane-1,3-dioate,pubchem3106,triethoxycarbonylmethane PubChem CID: 80471 IUPAC Name: triethyl methanetricarboxylate SMILES: CCOC(=O)C(C(=O)OCC)C(=O)OCC
| PubChem CID | 80471 |
|---|---|
| CAS | 6279-86-3 |
| Molecular Weight (g/mol) | 232.23 |
| SMILES | CCOC(=O)C(C(=O)OCC)C(=O)OCC |
| Synonym | tricarbethoxymethane,triethylmethanetricarboxylate,methanetricarboxylic acid, triethyl ester,2-ethoxycarbonyl-malonic acid diethyl ester,methanetricarboxylic acid triethyl ester,carboxymalonic acid triethyl ester,diethyl 2-ethoxycarbonyl malonate,diethyl 2-ethoxycarbonyl propane-1,3-dioate,pubchem3106,triethoxycarbonylmethane |
| IUPAC Name | triethyl methanetricarboxylate |
| InChI Key | AGZPNUZBDCYTBB-UHFFFAOYSA-N |
| Molecular Formula | C10H16O6 |
Sodium formate, 99%
CAS: 141-53-7 Molecular Formula: CHNaO2 Molecular Weight (g/mol): 68.007 MDL Number: MFCD00013101 InChI Key: HLBBKKJFGFRGMU-UHFFFAOYSA-M Synonym: sodium formate,formic acid, sodium salt,salachlor,formic acid sodium salt,formic acid, na salt,sodium formate, refined,sodium formiate,mravencan sodny czech,ccris 1037,hsdb 744 PubChem CID: 2723810 ChEBI: CHEBI:62965 IUPAC Name: sodium;formate SMILES: C(=O)[O-].[Na+]
| PubChem CID | 2723810 |
|---|---|
| CAS | 141-53-7 |
| Molecular Weight (g/mol) | 68.007 |
| ChEBI | CHEBI:62965 |
| MDL Number | MFCD00013101 |
| SMILES | C(=O)[O-].[Na+] |
| Synonym | sodium formate,formic acid, sodium salt,salachlor,formic acid sodium salt,formic acid, na salt,sodium formate, refined,sodium formiate,mravencan sodny czech,ccris 1037,hsdb 744 |
| IUPAC Name | sodium;formate |
| InChI Key | HLBBKKJFGFRGMU-UHFFFAOYSA-M |
| Molecular Formula | CHNaO2 |