Organic acids and derivatives
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Dehydroacetic Acid 98.0+%, TCI America™
CAS: 520-45-6 Molecular Formula: C8H8O4 Molecular Weight (g/mol): 168.148 MDL Number: MFCD00066709 InChI Key: PGRHXDWITVMQBC-UHFFFAOYSA-N Synonym: dehydroacetic acid,3-acetyl-6-methyl-2h-pyran-2,4 3h-dione,methylacetopyronone,dehydracetic acid,biocide 470f,acetic acid, dehydro,3-acetyl-6-methyl-2,4-pyrandione,2h-pyran-2,4 3h-dione, 3-acetyl-6-methyl,3-acetyl-6-methyl-pyran-2,4-dione,3-acetyl-6-methyldihydropyrandione-2,4 PubChem CID: 122903 IUPAC Name: 3-acetyl-6-methylpyran-2,4-dione SMILES: CC1=CC(=O)C(C(=O)O1)C(=O)C
| PubChem CID | 122903 |
|---|---|
| CAS | 520-45-6 |
| Molecular Weight (g/mol) | 168.148 |
| MDL Number | MFCD00066709 |
| SMILES | CC1=CC(=O)C(C(=O)O1)C(=O)C |
| Synonym | dehydroacetic acid,3-acetyl-6-methyl-2h-pyran-2,4 3h-dione,methylacetopyronone,dehydracetic acid,biocide 470f,acetic acid, dehydro,3-acetyl-6-methyl-2,4-pyrandione,2h-pyran-2,4 3h-dione, 3-acetyl-6-methyl,3-acetyl-6-methyl-pyran-2,4-dione,3-acetyl-6-methyldihydropyrandione-2,4 |
| IUPAC Name | 3-acetyl-6-methylpyran-2,4-dione |
| InChI Key | PGRHXDWITVMQBC-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
4,4,5,5-Tetramethyl-2-vinyl-1,3,2-dioxaborolane (stabilized with Phenothiazine) 93.0+%, TCI America™
CAS: 75927-49-0 Molecular Formula: C8H15BO2 Molecular Weight (g/mol): 154.02 MDL Number: MFCD00192492 InChI Key: DPGSPRJLAZGUBQ-UHFFFAOYSA-N Synonym: vinylboronic acid pinacol ester,4,4,5,5-tetramethyl-2-vinyl-1,3,2-dioxaborolane,vinylboronic acid pinacol cyclic ester,2-vinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,1,3,2-dioxaborolane, 2-ethenyl-4,4,5,5-tetramethyl,pinacol vinylboronate, stabilized with bht,2-vinyl-4,4,5,5-tetramethyl-1,3,2-dioxaoborolane,vbpe,pubchem23743,ethenylboronic acid pinacol ester PubChem CID: 5233012 IUPAC Name: 2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane SMILES: CC1(C)OB(OC1(C)C)C=C
| PubChem CID | 5233012 |
|---|---|
| CAS | 75927-49-0 |
| Molecular Weight (g/mol) | 154.02 |
| MDL Number | MFCD00192492 |
| SMILES | CC1(C)OB(OC1(C)C)C=C |
| Synonym | vinylboronic acid pinacol ester,4,4,5,5-tetramethyl-2-vinyl-1,3,2-dioxaborolane,vinylboronic acid pinacol cyclic ester,2-vinyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,1,3,2-dioxaborolane, 2-ethenyl-4,4,5,5-tetramethyl,pinacol vinylboronate, stabilized with bht,2-vinyl-4,4,5,5-tetramethyl-1,3,2-dioxaoborolane,vbpe,pubchem23743,ethenylboronic acid pinacol ester |
| IUPAC Name | 2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI Key | DPGSPRJLAZGUBQ-UHFFFAOYSA-N |
| Molecular Formula | C8H15BO2 |
Diethylenetriaminepentaacetic Acid 98.0+%, TCI America™
CAS: 67-43-6 Molecular Formula: C14H23N3O10 Molecular Weight (g/mol): 393.349 MDL Number: MFCD00004289 InChI Key: QPCDCPDFJACHGM-UHFFFAOYSA-N Synonym: pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid PubChem CID: 3053 ChEBI: CHEBI:35739 IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid SMILES: C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O
| PubChem CID | 3053 |
|---|---|
| CAS | 67-43-6 |
| Molecular Weight (g/mol) | 393.349 |
| ChEBI | CHEBI:35739 |
| MDL Number | MFCD00004289 |
| SMILES | C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O |
| Synonym | pentetic acid,diethylenetriaminepentaacetic acid,dtpa,detapac,complexon v,detarex,perma kleer,titriplex v,monaquest cai,hamp-ex acid |
| IUPAC Name | 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid |
| InChI Key | QPCDCPDFJACHGM-UHFFFAOYSA-N |
| Molecular Formula | C14H23N3O10 |
Methyl Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 333-27-7 Molecular Formula: C2H3F3O3S Molecular Weight (g/mol): 164.10 MDL Number: MFCD00000409 InChI Key: OIRDBPQYVWXNSJ-UHFFFAOYSA-N Synonym: methyl triflate,methyl trifluoromethanesulphonate,methanesulfonic acid, trifluoro-, methyl ester,triflate ester,methyl trifluoromethane sulfonate,trifluoromethanesulfonic acid methyl ester,unii-7b25z22epv,ccris 1158,methyltrifluoromethanesulfonate,methanesulfonic acid, 1,1,1-trifluoro-, methyl ester PubChem CID: 9526 IUPAC Name: methyl trifluoromethanesulfonate SMILES: COS(=O)(=O)C(F)(F)F
| PubChem CID | 9526 |
|---|---|
| CAS | 333-27-7 |
| Molecular Weight (g/mol) | 164.10 |
| MDL Number | MFCD00000409 |
| SMILES | COS(=O)(=O)C(F)(F)F |
| Synonym | methyl triflate,methyl trifluoromethanesulphonate,methanesulfonic acid, trifluoro-, methyl ester,triflate ester,methyl trifluoromethane sulfonate,trifluoromethanesulfonic acid methyl ester,unii-7b25z22epv,ccris 1158,methyltrifluoromethanesulfonate,methanesulfonic acid, 1,1,1-trifluoro-, methyl ester |
| IUPAC Name | methyl trifluoromethanesulfonate |
| InChI Key | OIRDBPQYVWXNSJ-UHFFFAOYSA-N |
| Molecular Formula | C2H3F3O3S |
Sodium DL-Lactate (60% in Water), TCI America™
CAS: 72-17-3 Molecular Formula: C3H5NaO3 Molecular Weight (g/mol): 112.06 MDL Number: MFCD00065400 InChI Key: NGSFWBMYFKHRBD-UHFFFAOYSA-M Synonym: sodium lactate,lactic acid sodium salt,monosodium lactate,sodium dl-lactate,lacolin,per-glycerin,lactic acid, monosodium salt,sodium alpha-hydroxypropionate,monosodium 2-hydroxypropanoate,propanoic acid, 2-hydroxy-, monosodium salt PubChem CID: 23666456 ChEBI: CHEBI:75228 IUPAC Name: sodium;2-hydroxypropanoate SMILES: CC(C(=O)[O-])O.[Na+]
| PubChem CID | 23666456 |
|---|---|
| CAS | 72-17-3 |
| Molecular Weight (g/mol) | 112.06 |
| ChEBI | CHEBI:75228 |
| MDL Number | MFCD00065400 |
| SMILES | CC(C(=O)[O-])O.[Na+] |
| Synonym | sodium lactate,lactic acid sodium salt,monosodium lactate,sodium dl-lactate,lacolin,per-glycerin,lactic acid, monosodium salt,sodium alpha-hydroxypropionate,monosodium 2-hydroxypropanoate,propanoic acid, 2-hydroxy-, monosodium salt |
| IUPAC Name | sodium;2-hydroxypropanoate |
| InChI Key | NGSFWBMYFKHRBD-UHFFFAOYSA-M |
| Molecular Formula | C3H5NaO3 |
Ethyl Butyrate 98.0+%, TCI America™
CAS: 105-54-4 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00009394 InChI Key: OBNCKNCVKJNDBV-UHFFFAOYSA-N Synonym: ethyl butyrate,butyric acid ethyl ester,ethyl n-butyrate,butanoic acid, ethyl ester,butyric ester,butyric ether,butyric acid, ethyl ester,ethyl n-butanoate,butanoic acid ethyl ester,fema number 2427 PubChem CID: 7762 IUPAC Name: ethyl butanoate SMILES: CCCC(=O)OCC
| PubChem CID | 7762 |
|---|---|
| CAS | 105-54-4 |
| Molecular Weight (g/mol) | 116.16 |
| MDL Number | MFCD00009394 |
| SMILES | CCCC(=O)OCC |
| Synonym | ethyl butyrate,butyric acid ethyl ester,ethyl n-butyrate,butanoic acid, ethyl ester,butyric ester,butyric ether,butyric acid, ethyl ester,ethyl n-butanoate,butanoic acid ethyl ester,fema number 2427 |
| IUPAC Name | ethyl butanoate |
| InChI Key | OBNCKNCVKJNDBV-UHFFFAOYSA-N |
| Molecular Formula | C6H12O2 |
Sodium Vinylsulfonate (25% in Water, ca. 2.3mol/L), TCI America™
CAS: 3039-83-6 Molecular Formula: C2H3NaO3S Molecular Weight (g/mol): 130.09 MDL Number: MFCD00007520 InChI Key: BWYYYTVSBPRQCN-UHFFFAOYSA-M Synonym: sodium ethenesulfonate,sodium vinylsulfonate,ethenesulfonic acid, sodium salt,sodium ethylenesulfonate,sodium vinyl sulfonate,sodium ethylenesulphonate,sodium apolate,unii-f7k3l38z7b,sodium ethenesulfonate in h2o,lyapolate sodium usan PubChem CID: 3270262 IUPAC Name: sodium ethenesulfonate SMILES: [Na+].[O-]S(=O)(=O)C=C
| PubChem CID | 3270262 |
|---|---|
| CAS | 3039-83-6 |
| Molecular Weight (g/mol) | 130.09 |
| MDL Number | MFCD00007520 |
| SMILES | [Na+].[O-]S(=O)(=O)C=C |
| Synonym | sodium ethenesulfonate,sodium vinylsulfonate,ethenesulfonic acid, sodium salt,sodium ethylenesulfonate,sodium vinyl sulfonate,sodium ethylenesulphonate,sodium apolate,unii-f7k3l38z7b,sodium ethenesulfonate in h2o,lyapolate sodium usan |
| IUPAC Name | sodium ethenesulfonate |
| InChI Key | BWYYYTVSBPRQCN-UHFFFAOYSA-M |
| Molecular Formula | C2H3NaO3S |
Disodium 1,3-Benzenedisulfonate 55.0+%, TCI America™
CAS: 831-59-4 Molecular Formula: C6H4Na2O6S2 Molecular Weight (g/mol): 282.19 MDL Number: MFCD00007492 InChI Key: XWPWZOJBTOJEGW-UHFFFAOYSA-L Synonym: disodium 1,3-benzenedisulfonate,disodium benzene-1,3-disulfonate,1,3-benzenedisulfonic acid, disodium salt,benzene-1,3-disulfonic acid disodium salt,1,3-benzenedisulfonic acid disodium salt,disodium benzene-1,3-disulphonate,disodium m-benzenedisulfonate,sodium benzene-1,3-disulfonate,1,3-benzenedisulfonic acid, sodium salt 1:2,m-benzenedisulfonic acid, disodium salt PubChem CID: 71577 IUPAC Name: disodium benzene-1,3-disulfonate SMILES: [Na+].[Na+].[O-]S(=O)(=O)C1=CC(=CC=C1)S([O-])(=O)=O
| PubChem CID | 71577 |
|---|---|
| CAS | 831-59-4 |
| Molecular Weight (g/mol) | 282.19 |
| MDL Number | MFCD00007492 |
| SMILES | [Na+].[Na+].[O-]S(=O)(=O)C1=CC(=CC=C1)S([O-])(=O)=O |
| Synonym | disodium 1,3-benzenedisulfonate,disodium benzene-1,3-disulfonate,1,3-benzenedisulfonic acid, disodium salt,benzene-1,3-disulfonic acid disodium salt,1,3-benzenedisulfonic acid disodium salt,disodium benzene-1,3-disulphonate,disodium m-benzenedisulfonate,sodium benzene-1,3-disulfonate,1,3-benzenedisulfonic acid, sodium salt 1:2,m-benzenedisulfonic acid, disodium salt |
| IUPAC Name | disodium benzene-1,3-disulfonate |
| InChI Key | XWPWZOJBTOJEGW-UHFFFAOYSA-L |
| Molecular Formula | C6H4Na2O6S2 |
N-Acetylethylenediamine 95.0+%, TCI America™
CAS: 1001-53-2 Molecular Formula: C4H10N2O Molecular Weight (g/mol): 102.137 MDL Number: MFCD00008163 InChI Key: DAKZISABEDGGSV-UHFFFAOYSA-N Synonym: n-2-aminoethyl acetamide,n-acetylethylenediamine,acetamide, n-2-aminoethyl,n-2-amino-ethyl-acetamide,unii-fql33v3kzd,fql33v3kzd,acetylethylenediamine,2-acetamidoethylamine,acetylethylene diamine,n-acetylethylendiamine PubChem CID: 66082 IUPAC Name: N-(2-aminoethyl)acetamide SMILES: CC(=O)NCCN
| PubChem CID | 66082 |
|---|---|
| CAS | 1001-53-2 |
| Molecular Weight (g/mol) | 102.137 |
| MDL Number | MFCD00008163 |
| SMILES | CC(=O)NCCN |
| Synonym | n-2-aminoethyl acetamide,n-acetylethylenediamine,acetamide, n-2-aminoethyl,n-2-amino-ethyl-acetamide,unii-fql33v3kzd,fql33v3kzd,acetylethylenediamine,2-acetamidoethylamine,acetylethylene diamine,n-acetylethylendiamine |
| IUPAC Name | N-(2-aminoethyl)acetamide |
| InChI Key | DAKZISABEDGGSV-UHFFFAOYSA-N |
| Molecular Formula | C4H10N2O |
Propyl Lactate 95.0+%, TCI America™
CAS: 616-09-1 Molecular Formula: C6H12O3 Molecular Weight (g/mol): 132.159 MDL Number: MFCD00059661 InChI Key: ILVGAIQLOCKNQA-UHFFFAOYSA-N Synonym: Lactic Acid Propyl Ester PubChem CID: 92821 IUPAC Name: propyl 2-hydroxypropanoate SMILES: CCCOC(=O)C(C)O
| PubChem CID | 92821 |
|---|---|
| CAS | 616-09-1 |
| Molecular Weight (g/mol) | 132.159 |
| MDL Number | MFCD00059661 |
| SMILES | CCCOC(=O)C(C)O |
| Synonym | Lactic Acid Propyl Ester |
| IUPAC Name | propyl 2-hydroxypropanoate |
| InChI Key | ILVGAIQLOCKNQA-UHFFFAOYSA-N |
| Molecular Formula | C6H12O3 |
Ethyl Formate 98.0+%, TCI America™
CAS: 109-94-4 Molecular Formula: C3H6O2 Molecular Weight (g/mol): 74.08 MDL Number: MFCD00003294 InChI Key: WBJINCZRORDGAQ-UHFFFAOYSA-N Synonym: areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat PubChem CID: 8025 ChEBI: CHEBI:52342 IUPAC Name: ethyl formate SMILES: CCOC=O
| PubChem CID | 8025 |
|---|---|
| CAS | 109-94-4 |
| Molecular Weight (g/mol) | 74.08 |
| ChEBI | CHEBI:52342 |
| MDL Number | MFCD00003294 |
| SMILES | CCOC=O |
| Synonym | areginal,formic acid, ethyl ester,ethyl methanoate,formic acid ethyl ester,aethylformiat,ethyl formic ester,ethylformate,ethylformiaat,formic ether,ethylformiat |
| IUPAC Name | ethyl formate |
| InChI Key | WBJINCZRORDGAQ-UHFFFAOYSA-N |
| Molecular Formula | C3H6O2 |
Ethyl Cyanoacetate 99.0+%, TCI America™
CAS: 105-56-6 Molecular Formula: C5H7NO2 Molecular Weight (g/mol): 113.12 MDL Number: MFCD00001940 InChI Key: ZIUSEGSNTOUIPT-UHFFFAOYSA-N Synonym: ethyl cyanoacetate,ethyl cyanacetate,cyanoacetic acid ethyl ester,acetic acid, cyano-, ethyl ester,ethyl cyanoethanoate,cyanoacetic ester,cyanacetate ethyle,usaf kf-25,estere cianoacetico,ethyl cyano acetate PubChem CID: 7764 IUPAC Name: ethyl 2-cyanoacetate SMILES: CCOC(=O)CC#N
| PubChem CID | 7764 |
|---|---|
| CAS | 105-56-6 |
| Molecular Weight (g/mol) | 113.12 |
| MDL Number | MFCD00001940 |
| SMILES | CCOC(=O)CC#N |
| Synonym | ethyl cyanoacetate,ethyl cyanacetate,cyanoacetic acid ethyl ester,acetic acid, cyano-, ethyl ester,ethyl cyanoethanoate,cyanoacetic ester,cyanacetate ethyle,usaf kf-25,estere cianoacetico,ethyl cyano acetate |
| IUPAC Name | ethyl 2-cyanoacetate |
| InChI Key | ZIUSEGSNTOUIPT-UHFFFAOYSA-N |
| Molecular Formula | C5H7NO2 |
2,2-Dibromo-2-cyanoacetamide 98.0+%, TCI America™
CAS: 10222-01-2 Molecular Formula: C3H2Br2N2O Molecular Weight (g/mol): 241.87 MDL Number: MFCD00129791 InChI Key: UUIVKBHZENILKB-UHFFFAOYSA-N Synonym: dibromocyanoacetamide,dbnpa,2,2-dibromo-3-nitrilopropionamide,acetamide, 2,2-dibromo-2-cyano,xd-7287l antimicrobial,2-cyano-2,2-dibromoacetamide,2,2-dibromo-2-carbamoylacetonitrile,caswell no. 287aa,unii-7n51qgl6mj,epa pesticide chemical code 101801 PubChem CID: 25059 IUPAC Name: 2,2-dibromo-2-cyanoacetamide SMILES: NC(=O)C(Br)(Br)C#N
| PubChem CID | 25059 |
|---|---|
| CAS | 10222-01-2 |
| Molecular Weight (g/mol) | 241.87 |
| MDL Number | MFCD00129791 |
| SMILES | NC(=O)C(Br)(Br)C#N |
| Synonym | dibromocyanoacetamide,dbnpa,2,2-dibromo-3-nitrilopropionamide,acetamide, 2,2-dibromo-2-cyano,xd-7287l antimicrobial,2-cyano-2,2-dibromoacetamide,2,2-dibromo-2-carbamoylacetonitrile,caswell no. 287aa,unii-7n51qgl6mj,epa pesticide chemical code 101801 |
| IUPAC Name | 2,2-dibromo-2-cyanoacetamide |
| InChI Key | UUIVKBHZENILKB-UHFFFAOYSA-N |
| Molecular Formula | C3H2Br2N2O |
Zoledronic Acid Monohydrate 98.0+%, TCI America™
CAS: 165800-06-6 Molecular Formula: C5H12N2O8P2 Molecular Weight (g/mol): 290.105 MDL Number: MFCD00867791 InChI Key: FUXFIVRTGHOMSO-UHFFFAOYSA-N Synonym: 1-Hydroxy-2-(1-imidazolyl)ethane-1,1-diphosphonic Acid PubChem CID: 121586 IUPAC Name: (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;hydrate SMILES: C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O.O
| PubChem CID | 121586 |
|---|---|
| CAS | 165800-06-6 |
| Molecular Weight (g/mol) | 290.105 |
| MDL Number | MFCD00867791 |
| SMILES | C1=CN(C=N1)CC(O)(P(=O)(O)O)P(=O)(O)O.O |
| Synonym | 1-Hydroxy-2-(1-imidazolyl)ethane-1,1-diphosphonic Acid |
| IUPAC Name | (1-hydroxy-2-imidazol-1-yl-1-phosphonoethyl)phosphonic acid;hydrate |
| InChI Key | FUXFIVRTGHOMSO-UHFFFAOYSA-N |
| Molecular Formula | C5H12N2O8P2 |
2-Phosphonobutane-1,2,4-tricarboxylic Acid (ca. 50% in Water), TCI America™
CAS: 37971-36-1 Molecular Formula: C7H11O9P Molecular Weight (g/mol): 270.13 MDL Number: MFCD01940753 InChI Key: SZHQPBJEOCHCKM-UHFFFAOYSA-N Synonym: 3-Carboxy-3-phosphonohexanedioic Acid, PBTC PubChem CID: 61973 IUPAC Name: 2-phosphonobutane-1,2,4-tricarboxylic acid SMILES: C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O
| PubChem CID | 61973 |
|---|---|
| CAS | 37971-36-1 |
| Molecular Weight (g/mol) | 270.13 |
| MDL Number | MFCD01940753 |
| SMILES | C(CC(CC(=O)O)(C(=O)O)P(=O)(O)O)C(=O)O |
| Synonym | 3-Carboxy-3-phosphonohexanedioic Acid, PBTC |
| IUPAC Name | 2-phosphonobutane-1,2,4-tricarboxylic acid |
| InChI Key | SZHQPBJEOCHCKM-UHFFFAOYSA-N |
| Molecular Formula | C7H11O9P |