Organic acids and derivatives
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1-Hydroxyethane-1,1-diphosphonic Acid (ca. 60% in Water, ca. 4.2mol/L), TCI America™
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 |
Aniline-2,5-disulfonic Acid Monosodium Salt 98.0+%, TCI America™
CAS: 24605-36-5 Molecular Formula: C6H5NNa2O6S2 Molecular Weight (g/mol): 297.21 MDL Number: MFCD00078393 InChI Key: QYUDDCLXBAJUNA-UHFFFAOYSA-L Synonym: 2-Amino-1,4-benzenedisulfonic Acid Monosodium Salt, 2,5-Disulfoaniline Monosodium Salt, Sodium Hydrogen 2-Amino-1,4-benzenedisulfonate PubChem CID: 87094165 IUPAC Name: disodium 2-aminobenzene-1,4-disulfonate SMILES: [Na+].[Na+].NC1=CC(=CC=C1S([O-])(=O)=O)S([O-])(=O)=O
| PubChem CID | 87094165 |
|---|---|
| CAS | 24605-36-5 |
| Molecular Weight (g/mol) | 297.21 |
| MDL Number | MFCD00078393 |
| SMILES | [Na+].[Na+].NC1=CC(=CC=C1S([O-])(=O)=O)S([O-])(=O)=O |
| Synonym | 2-Amino-1,4-benzenedisulfonic Acid Monosodium Salt, 2,5-Disulfoaniline Monosodium Salt, Sodium Hydrogen 2-Amino-1,4-benzenedisulfonate |
| IUPAC Name | disodium 2-aminobenzene-1,4-disulfonate |
| InChI Key | QYUDDCLXBAJUNA-UHFFFAOYSA-L |
| Molecular Formula | C6H5NNa2O6S2 |
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 |
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 |
Bis(2-ethylhexyl) Maleate 93.0+%, TCI America™
CAS: 142-16-5 Molecular Formula: C20H36O4 Molecular Weight (g/mol): 340.504 MDL Number: MFCD00027250 InChI Key: ROPXFXOUUANXRR-YPKPFQOOSA-N Synonym: bis 2-ethylhexyl maleate,di-2-ethylhexyl maleate,rc comonomer dom,di 2-ethylhexyl maleate,maleic acid, bis 2-ethylhexyl ester,2-butenedioic acid 2z-, bis 2-ethylhexyl ester,maleic acid dioctyl ester,2-butenedioic acid z-, bis 2-ethylhexyl ester PubChem CID: 5365125 IUPAC Name: bis(2-ethylhexyl) (Z)-but-2-enedioate SMILES: CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC
| PubChem CID | 5365125 |
|---|---|
| CAS | 142-16-5 |
| Molecular Weight (g/mol) | 340.504 |
| MDL Number | MFCD00027250 |
| SMILES | CCCCC(CC)COC(=O)C=CC(=O)OCC(CC)CCCC |
| Synonym | bis 2-ethylhexyl maleate,di-2-ethylhexyl maleate,rc comonomer dom,di 2-ethylhexyl maleate,maleic acid, bis 2-ethylhexyl ester,2-butenedioic acid 2z-, bis 2-ethylhexyl ester,maleic acid dioctyl ester,2-butenedioic acid z-, bis 2-ethylhexyl ester |
| IUPAC Name | bis(2-ethylhexyl) (Z)-but-2-enedioate |
| InChI Key | ROPXFXOUUANXRR-YPKPFQOOSA-N |
| Molecular Formula | C20H36O4 |
(-)-Epicatechin Gallate 98.0+%, TCI America™
CAS: 1257-08-5 Molecular Formula: C22H18O10 Molecular Weight (g/mol): 442.376 MDL Number: MFCD00075936 InChI Key: LSHVYAFMTMFKBA-TZIWHRDSSA-N Synonym: =--epicatechin gallate,epicatechin gallate,=--epicatechin-3-o-gallate,l-epicatechin gallate,=--epicatechin-3-gallate,=--epicatechingallate,epicatechin monogallate,--epicatechin 3-o-gallate,teatannin,epicatechol, gallate PubChem CID: 107905 ChEBI: CHEBI:70255 IUPAC Name: [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate SMILES: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
| PubChem CID | 107905 |
|---|---|
| CAS | 1257-08-5 |
| Molecular Weight (g/mol) | 442.376 |
| ChEBI | CHEBI:70255 |
| MDL Number | MFCD00075936 |
| SMILES | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O |
| Synonym | =--epicatechin gallate,epicatechin gallate,=--epicatechin-3-o-gallate,l-epicatechin gallate,=--epicatechin-3-gallate,=--epicatechingallate,epicatechin monogallate,--epicatechin 3-o-gallate,teatannin,epicatechol, gallate |
| IUPAC Name | [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate |
| InChI Key | LSHVYAFMTMFKBA-TZIWHRDSSA-N |
| Molecular Formula | C22H18O10 |
tert-Butyldiphenylsilyl Trifluoromethanesulfonate 98.0+%, TCI America™
CAS: 92886-86-7 Molecular Formula: C17H19F3O3SSi Molecular Weight (g/mol): 388.48 MDL Number: MFCD01941212 InChI Key: AOMOJFWVOHXBTN-UHFFFAOYSA-N Synonym: tert-Butyldiphenylsilyl Triflate, Trifluoromethanesulfonic Acid tert-Butyldiphenylsilyl Ester PubChem CID: 10949115 IUPAC Name: tert-butyldiphenylsilyl trifluoromethanesulfonate SMILES: CC(C)(C)[Si](OS(=O)(=O)C(F)(F)F)(C1=CC=CC=C1)C1=CC=CC=C1
| PubChem CID | 10949115 |
|---|---|
| CAS | 92886-86-7 |
| Molecular Weight (g/mol) | 388.48 |
| MDL Number | MFCD01941212 |
| SMILES | CC(C)(C)[Si](OS(=O)(=O)C(F)(F)F)(C1=CC=CC=C1)C1=CC=CC=C1 |
| Synonym | tert-Butyldiphenylsilyl Triflate, Trifluoromethanesulfonic Acid tert-Butyldiphenylsilyl Ester |
| IUPAC Name | tert-butyldiphenylsilyl trifluoromethanesulfonate |
| InChI Key | AOMOJFWVOHXBTN-UHFFFAOYSA-N |
| Molecular Formula | C17H19F3O3SSi |
Allyl Cyanoacetate 97.0+%, TCI America™
CAS: 13361-32-5 Molecular Formula: C6H7NO2 Molecular Weight (g/mol): 125.13 MDL Number: MFCD00013817 InChI Key: WXKCRCGKCOKJEF-UHFFFAOYSA-N Synonym: Cyanoacetic Acid Allyl Ester PubChem CID: 25919 IUPAC Name: prop-2-en-1-yl 2-cyanoacetate SMILES: C=CCOC(=O)CC#N
| PubChem CID | 25919 |
|---|---|
| CAS | 13361-32-5 |
| Molecular Weight (g/mol) | 125.13 |
| MDL Number | MFCD00013817 |
| SMILES | C=CCOC(=O)CC#N |
| Synonym | Cyanoacetic Acid Allyl Ester |
| IUPAC Name | prop-2-en-1-yl 2-cyanoacetate |
| InChI Key | WXKCRCGKCOKJEF-UHFFFAOYSA-N |
| Molecular Formula | C6H7NO2 |
trans,trans-4'-Pentylbicyclohexyl-4-carboxylic Acid 98.0+%, TCI America™
CAS: 65355-33-1 Molecular Formula: C18H32O2 Molecular Weight (g/mol): 280.452 MDL Number: MFCD05864408 InChI Key: VRPANQODGRNWRV-UHFFFAOYSA-N Synonym: trans,trans-4′C-Amylbicyclohexyl-4-carboxylic Acid, trans,trans-4′C-Pentyl-1,1′C-bicyclohexane-4-carboxylic Acid, trans,trans-4′C-Amyl-1,1′C-bicyclohexane-4-carboxylic Acid, trans-4-(trans-4-Pentylcyclohexyl)cyclohexanecarboxylic Acid, trans-4-(trans-4-Amylcyc PubChem CID: 1712164 IUPAC Name: 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid SMILES: CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)O
| PubChem CID | 1712164 |
|---|---|
| CAS | 65355-33-1 |
| Molecular Weight (g/mol) | 280.452 |
| MDL Number | MFCD05864408 |
| SMILES | CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)O |
| Synonym | trans,trans-4′C-Amylbicyclohexyl-4-carboxylic Acid, trans,trans-4′C-Pentyl-1,1′C-bicyclohexane-4-carboxylic Acid, trans,trans-4′C-Amyl-1,1′C-bicyclohexane-4-carboxylic Acid, trans-4-(trans-4-Pentylcyclohexyl)cyclohexanecarboxylic Acid, trans-4-(trans-4-Amylcyc |
| IUPAC Name | 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylic acid |
| InChI Key | VRPANQODGRNWRV-UHFFFAOYSA-N |
| Molecular Formula | C18H32O2 |
Copper(II) Disodium Ethylenediaminetetraacetate Tetrahydrate 98.0+%, TCI America™
CAS: 39208-15-6 Molecular Formula: C10H20CuN2Na2O12 Molecular Weight (g/mol): 469.798 MDL Number: MFCD00148920 InChI Key: CHPMNDHAIUIBSK-UHFFFAOYSA-J Synonym: copper ii disodium ethylenediaminetetraacetate tetrahydrate,ethylenediaminetetraacetic acidcopper ii disodium salt tetrahydrate,acmc-209j3w,edta-cu-15,ksc911m0f,copper 2+ disodium ion 4-edta tetrahydrate,copper ii disodium 2,2',2,2'-ethane-1,2-diylbis azanetriyl tetraacetate tetrahydrate PubChem CID: 46245299 IUPAC Name: copper;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;tetrahydrate SMILES: C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.O.O.[Na+].[Na+].[Cu+2]
| PubChem CID | 46245299 |
|---|---|
| CAS | 39208-15-6 |
| Molecular Weight (g/mol) | 469.798 |
| MDL Number | MFCD00148920 |
| SMILES | C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.O.O.O.[Na+].[Na+].[Cu+2] |
| Synonym | copper ii disodium ethylenediaminetetraacetate tetrahydrate,ethylenediaminetetraacetic acidcopper ii disodium salt tetrahydrate,acmc-209j3w,edta-cu-15,ksc911m0f,copper 2+ disodium ion 4-edta tetrahydrate,copper ii disodium 2,2',2,2'-ethane-1,2-diylbis azanetriyl tetraacetate tetrahydrate |
| IUPAC Name | copper;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;tetrahydrate |
| InChI Key | CHPMNDHAIUIBSK-UHFFFAOYSA-J |
| Molecular Formula | C10H20CuN2Na2O12 |
Hexadecylphosphonic Acid 98.0+%, TCI America™
CAS: 4721-17-9 Molecular Formula: C16H35O3P Molecular Weight (g/mol): 306.427 MDL Number: MFCD00015836 InChI Key: JDPSFRXPDJVJMV-UHFFFAOYSA-N PubChem CID: 13783525 IUPAC Name: hexadecylphosphonic acid SMILES: CCCCCCCCCCCCCCCCP(=O)(O)O
| PubChem CID | 13783525 |
|---|---|
| CAS | 4721-17-9 |
| Molecular Weight (g/mol) | 306.427 |
| MDL Number | MFCD00015836 |
| SMILES | CCCCCCCCCCCCCCCCP(=O)(O)O |
| IUPAC Name | hexadecylphosphonic acid |
| InChI Key | JDPSFRXPDJVJMV-UHFFFAOYSA-N |
| Molecular Formula | C16H35O3P |
1,3,2-Dioxathiolane 2,2-Dioxide 98.0+%, TCI America™
CAS: 1072-53-3 Molecular Formula: C2H4O4S Molecular Weight (g/mol): 124.11 MDL Number: MFCD00221769 InChI Key: ZPFAVCIQZKRBGF-UHFFFAOYSA-N Synonym: ethylenesulfate,ethylene sulfate,ethylene glycol, cyclic sulfate,glycol sulfate,1,2-ethylene sulfate,1,3,2-dioxathiolane, 2,2-dioxide,sulfuric acid, cyclic ethylene ester,1,3,2-dioxathiolane-2,2-dioxide,1,3,2??-dioxathiolane-2,2-dione,ethosulfate PubChem CID: 14075 IUPAC Name: 1,3,2-dioxathiolane 2,2-dioxide SMILES: C1COS(=O)(=O)O1
| PubChem CID | 14075 |
|---|---|
| CAS | 1072-53-3 |
| Molecular Weight (g/mol) | 124.11 |
| MDL Number | MFCD00221769 |
| SMILES | C1COS(=O)(=O)O1 |
| Synonym | ethylenesulfate,ethylene sulfate,ethylene glycol, cyclic sulfate,glycol sulfate,1,2-ethylene sulfate,1,3,2-dioxathiolane, 2,2-dioxide,sulfuric acid, cyclic ethylene ester,1,3,2-dioxathiolane-2,2-dioxide,1,3,2??-dioxathiolane-2,2-dione,ethosulfate |
| IUPAC Name | 1,3,2-dioxathiolane 2,2-dioxide |
| InChI Key | ZPFAVCIQZKRBGF-UHFFFAOYSA-N |
| Molecular Formula | C2H4O4S |
3-Iodo-2-propynyl N-Butylcarbamate 97.0+%, TCI America™
CAS: 55406-53-6 Molecular Formula: C8H12INO2 Molecular Weight (g/mol): 281.093 MDL Number: MFCD00072438 InChI Key: WYVVKGNFXHOCQV-UHFFFAOYSA-N Synonym: 3-iodoprop-2-yn-1-yl butylcarbamate,iodopropynyl butylcarbamate,iodocarb,ipbc,woodlife,3-iodo-2-propynyl butylcarbamate,1-iodoprop-1-yn-3-yl n-n-butylcarbamate,troysan kk-108a,carbamic acid, butyl-, 3-iodo-2-propynyl ester,troysan polyphase anti-mildew PubChem CID: 62097 ChEBI: CHEBI:83279 IUPAC Name: 3-iodoprop-2-ynyl N-butylcarbamate SMILES: CCCCNC(=O)OCC#CI
| PubChem CID | 62097 |
|---|---|
| CAS | 55406-53-6 |
| Molecular Weight (g/mol) | 281.093 |
| ChEBI | CHEBI:83279 |
| MDL Number | MFCD00072438 |
| SMILES | CCCCNC(=O)OCC#CI |
| Synonym | 3-iodoprop-2-yn-1-yl butylcarbamate,iodopropynyl butylcarbamate,iodocarb,ipbc,woodlife,3-iodo-2-propynyl butylcarbamate,1-iodoprop-1-yn-3-yl n-n-butylcarbamate,troysan kk-108a,carbamic acid, butyl-, 3-iodo-2-propynyl ester,troysan polyphase anti-mildew |
| IUPAC Name | 3-iodoprop-2-ynyl N-butylcarbamate |
| InChI Key | WYVVKGNFXHOCQV-UHFFFAOYSA-N |
| Molecular Formula | C8H12INO2 |
2,2,2-Trifluoroethyl Trifluoromethanesulfonate 97.0+%, TCI America™
CAS: 6226-25-1 Molecular Formula: C3H2F6O3S Molecular Weight (g/mol): 232.096 MDL Number: MFCD00671579 InChI Key: RTMMSCJWQYWMNK-UHFFFAOYSA-N Synonym: 2,2,2-trifluoroethyltrifluoromethanesulfonate,2,2,2-trifluoroethyl triflate,methanesulfonic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoromethanesulfonic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyl trifluoromethanesulphonate,2,2,2-trifluoroethyl trifluorometanesulfonic acid,2,2,2-trifluoroethyltrifluoromethanesulphonate,2,2,2-trifluoroethyl trifluoromethane sulfonate,trifluoroethyltriflate,trifluoroethyl triflate PubChem CID: 80366 IUPAC Name: 2,2,2-trifluoroethyl trifluoromethanesulfonate SMILES: C(C(F)(F)F)OS(=O)(=O)C(F)(F)F
| PubChem CID | 80366 |
|---|---|
| CAS | 6226-25-1 |
| Molecular Weight (g/mol) | 232.096 |
| MDL Number | MFCD00671579 |
| SMILES | C(C(F)(F)F)OS(=O)(=O)C(F)(F)F |
| Synonym | 2,2,2-trifluoroethyltrifluoromethanesulfonate,2,2,2-trifluoroethyl triflate,methanesulfonic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoromethanesulfonic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyl trifluoromethanesulphonate,2,2,2-trifluoroethyl trifluorometanesulfonic acid,2,2,2-trifluoroethyltrifluoromethanesulphonate,2,2,2-trifluoroethyl trifluoromethane sulfonate,trifluoroethyltriflate,trifluoroethyl triflate |
| IUPAC Name | 2,2,2-trifluoroethyl trifluoromethanesulfonate |
| InChI Key | RTMMSCJWQYWMNK-UHFFFAOYSA-N |
| Molecular Formula | C3H2F6O3S |
Thiolactic Acid 97.0+%, TCI America™
CAS: 79-42-5 Molecular Formula: C3H6O2S Molecular Weight (g/mol): 106.14 MDL Number: MFCD00004862 InChI Key: PMNLUUOXGOOLSP-UHFFFAOYNA-N Synonym: 2-mercaptopropionic acid,thiolactic acid,2-mercaptopropanoic acid,2-thiolactic acid,2-thiolpropionic acid,alpha-mercaptopropionic acid,alpha-mercaptopropanoic acid,propionic acid, 2-mercapto,propanoic acid, 2-mercapto,fema no. 3180 PubChem CID: 62326 ChEBI: CHEBI:47872 IUPAC Name: 2-sulfanylpropanoic acid SMILES: CC(S)C(O)=O
| PubChem CID | 62326 |
|---|---|
| CAS | 79-42-5 |
| Molecular Weight (g/mol) | 106.14 |
| ChEBI | CHEBI:47872 |
| MDL Number | MFCD00004862 |
| SMILES | CC(S)C(O)=O |
| Synonym | 2-mercaptopropionic acid,thiolactic acid,2-mercaptopropanoic acid,2-thiolactic acid,2-thiolpropionic acid,alpha-mercaptopropionic acid,alpha-mercaptopropanoic acid,propionic acid, 2-mercapto,propanoic acid, 2-mercapto,fema no. 3180 |
| IUPAC Name | 2-sulfanylpropanoic acid |
| InChI Key | PMNLUUOXGOOLSP-UHFFFAOYNA-N |
| Molecular Formula | C3H6O2S |