Organic phosphonic acids and derivatives

Methyl O,O'-bis(2,2,2-trifluoroethyl)phosphonoacetate, 90%, ACROS Organics™

CAS: 88738-78-7 Molecular Formula: C7H9F6O5P Molecular Weight (g/mol): 318.11 MDL Number: MFCD00009901 InChI Key: PVSJXEDBEXYLML-UHFFFAOYSA-N Synonym: acetic acid, bis 2,2,2-trifluoroethoxy phosphinyl-, methyl ester PubChem CID: 184894 IUPAC Name: methyl 2-[bis(2,2,2-trifluoroethoxy)phosphoryl]acetate SMILES: COC(=O)CP(=O)(OCC(F)(F)F)OCC(F)(F)F

(2-Aminoethyl)phosphonic acid, 99%, ACROS Organics™

CAS: 2041-14-7 Molecular Formula: C2H8NO3P Molecular Weight (g/mol): 125.06 MDL Number: MFCD00008182 InChI Key: QQVDJLLNRSOCEL-UHFFFAOYSA-N Synonym: 2-aminoethane phosphonic acid PubChem CID: 339 ChEBI: CHEBI:15573 IUPAC Name: 2-aminoethylphosphonic acid SMILES: C(CP(=O)(O)O)N

Alfa Aesar™ Methylenediphosphonic acid, 99+%

CAS: 1984-15-2 Molecular Formula: CH6O6P2 Molecular Weight (g/mol): 176.001 MDL Number: MFCD00002139 InChI Key: MBKDYNNUVRNNRF-UHFFFAOYSA-N Synonym: acide medronique PubChem CID: 16124 ChEBI: CHEBI:43945 IUPAC Name: phosphonomethylphosphonic acid SMILES: C(P(=O)(O)O)P(=O)(O)O

Diethyl benzylphosphonate, 99%, ACROS Organics™

CAS: 1080-32-6 Molecular Formula: C11H17O3P Molecular Weight (g/mol): 228.23 InChI Key: AIPRAPZUGUTQKX-UHFFFAOYSA-N Synonym: benzylphosphonic acid diethyl ester PubChem CID: 14122 IUPAC Name: diethoxyphosphorylmethylbenzene SMILES: CCOP(=O)(CC1=CC=CC=C1)OCC

(3-Aminopropyl)phosphonic acid, 97%, ACROS Organics™

CAS: 13138-33-5 Molecular Formula: C3H10NO3P Molecular Weight (g/mol): 139.09 MDL Number: MFCD00008222 InChI Key: GSZQTIFGANBTNF-UHFFFAOYSA-N Synonym: 3-amino-propyl-phosphonic acid PubChem CID: 97587 IUPAC Name: 3-aminopropylphosphonic acid SMILES: C(CN)CP(=O)(O)O

DiethyleVinylphosphonate, 97%, ACROS Organics™

CAS: 682-30-4 Molecular Formula: C6H13O3P Molecular Weight (g/mol): 164.14 MDL Number: MFCD00009079 InChI Key: DREPONDJUKIQLX-UHFFFAOYSA-N Synonym: 1-ethenyl ethoxy phosphoryl oxyethane PubChem CID: 69629 IUPAC Name: 1-[ethenyl(ethoxy)phosphoryl]oxyethane SMILES: CCOP(=O)(C=C)OCC

Alfa Aesar™ Diisopropyl methylphosphonate, 95%

CAS: 1445-75-6 Molecular Formula: C7H17O3P Molecular Weight (g/mol): 180.184 MDL Number: MFCD00015022 InChI Key: WOAFDHWYKSOANX-UHFFFAOYSA-N Synonym: bis 1-methylethyl methylphosphonate PubChem CID: 3073 ChEBI: CHEBI:77325 IUPAC Name: 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane SMILES: CC(C)OP(=O)(C)OC(C)C

Alfa Aesar™ (Aminomethyl)phosphonic acid, 99%

CAS: 1066-51-9 Molecular Formula: CH6NO3P Molecular Weight (g/mol): 111.037 MDL Number: MFCD00008105 InChI Key: MGRVRXRGTBOSHW-UHFFFAOYSA-N Synonym: 1-aminomethyl phosphonic acid PubChem CID: 14017 ChEBI: CHEBI:28812 IUPAC Name: aminomethylphosphonic acid SMILES: C(N)P(=O)(O)O

Triethyl 4-phosphonocrotonate, 92%, predominantly trans, ACROS Organics™

CAS: 10236-14-3 Molecular Formula: C10H19O5P Molecular Weight (g/mol): 250.23 MDL Number: MFCD00009192 InChI Key: LXLODBXSCRTXFG-BQYQJAHWSA-N Synonym: 4-diethoxyphosphinyl crotonic acid ethyl ester PubChem CID: 5365783 IUPAC Name: ethyl (E)-4-diethoxyphosphorylbut-2-enoate SMILES: CCOC(=O)C=CCP(=O)(OCC)OCC

Alfa Aesar™ 1-Tetradecylphosphonic acid, 98%

CAS: 4671-75-4 Molecular Formula: C14H31O3P Molecular Weight (g/mol): 278.373 MDL Number: MFCD00015834 InChI Key: BVQJQTMSTANITJ-UHFFFAOYSA-N Synonym: 1-tetradecanephosphonic acid PubChem CID: 78401 IUPAC Name: tetradecylphosphonic acid SMILES: CCCCCCCCCCCCCCP(=O)(O)O

Alfa Aesar™ Alendronate sodium trihydrate, 97%

CAS: 121268-17-5 Molecular Formula: C4H18NNaO10P2 Molecular Weight (g/mol): 325.122 MDL Number: MFCD01748233 InChI Key: DCSBSVSZJRSITC-UHFFFAOYSA-M Synonym: adronat PubChem CID: 23681107 ChEBI: CHEBI:2566 IUPAC Name: sodium;(4-amino-1-hydroxy-1-phosphonobutyl)-hydroxyphosphinate;trihydrate SMILES: C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.O.O.O.[Na+]

Vinylphosphonic acid, 90%, Acros Organics™

CAS: 1746-03-8 Molecular Formula: C2H5O3P Molecular Weight (g/mol): 108.033 InChI Key: ZTWTYVWXUKTLCP-UHFFFAOYSA-N Synonym: acmc-1bvr6 PubChem CID: 168725 IUPAC Name: ethenylphosphonic acid SMILES: C=CP(=O)(O)O

Alfa Aesar™ Sodium phosphonoformate hexahydrate, 98+%

CAS: 34156-56-4 Molecular Formula: CH12Na3O11P Molecular Weight (g/mol): 300.039 MDL Number: MFCD00150176 InChI Key: ILRVASBWNRYBFD-UHFFFAOYSA-K Synonym: formic acid, phosphono-, trisodium salt, hexahydrate PubChem CID: 169569 ChEBI: CHEBI:60269 IUPAC Name: trisodium;phosphonatoformate;hexahydrate SMILES: C(=O)([O-])P(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+].[Na+]

Alfa Aesar™ Diethyl (bromodifluoromethyl)phosphonate, 97%

CAS: 65094-22-6 Molecular Formula: C5H10BrF2O3P Molecular Weight (g/mol): 267.007 MDL Number: MFCD00069118 InChI Key: QRADKVYIJIAENZ-UHFFFAOYSA-N Synonym: 1-bromo difluoro methyl-ethoxyphosphoryl oxyethane PubChem CID: 144101 IUPAC Name: 1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane SMILES: CCOP(=O)(C(F)(F)Br)OCC

Alfa Aesar™ 12-Azidododecylphosphonic acid, 95%

CAS: 721457-32-5 Molecular Formula: C12H26N3O3P Molecular Weight (g/mol): 291.332 MDL Number: MFCD17012690 InChI Key: WHRLXOVKIALVOF-UHFFFAOYSA-N PubChem CID: 97638952 IUPAC Name: 12-azidododecylphosphonic acid SMILES: C(CCCCCCP(=O)(O)O)CCCCCN=[N+]=[N-]

Sodium thiomethoxide, 95%, pure, ACROS Organics™

CAS: 5188-07-8 Molecular Formula: CH3NaS Molecular Weight (g/mol): 70.09 MDL Number: MFCD00174316 InChI Key: CPWIYYOBPHXJIA-UHFFFAOYSA-N Synonym: 1-tetradecanephosphonic acid diethyl ester PubChem CID: 640154 IUPAC Name: 1-diethoxyphosphoryltetradecane SMILES: CCCCCCCCCCCCCCP(=O)(OCC)OCC

Alfa Aesar™ Diethyl 2-bromoethylphosphonate, 97%

CAS: 5324-30-1 Molecular Formula: C6H14BrO3P Molecular Weight (g/mol): 245.053 MDL Number: MFCD00000239 InChI Key: PINITSMLVXAASM-UHFFFAOYSA-N Synonym: 2-bromoethyl phosphonic acid diethyl ester PubChem CID: 79218 IUPAC Name: 1-bromo-2-diethoxyphosphorylethane SMILES: CCOP(=O)(CCBr)OCC

Triethyl phosphonoacetate, 97%, ACROS Organics™

CAS: 867-13-0 Molecular Formula: C8H17O5P Molecular Weight (g/mol): 224.19 InChI Key: GGUBFICZYGKNTD-UHFFFAOYSA-N Synonym: diethyl carbethoxymethylphosphonate PubChem CID: 13345 IUPAC Name: ethyl 2-diethoxyphosphorylacetate SMILES: CCOC(=O)CP(=O)(OCC)OCC

Chloromethylphosphonic acid, 98%, Acros Organics

CAS: 2565-58-4 Molecular Formula: CH4ClO3P Molecular Weight (g/mol): 130.47 InChI Key: MOFCYHDQWIZKMY-UHFFFAOYSA-N Synonym: chloromethanephosphonic acid PubChem CID: 75723 IUPAC Name: chloromethylphosphonic acid SMILES: C(P(=O)(O)O)Cl

Alfa Aesar™ Triethyl 2-phosphonopropionate, 98%

CAS: 3699-66-9 Molecular Formula: C9H19O5P Molecular Weight (g/mol): 238.22 MDL Number: MFCD00009159 InChI Key: BVSRWCMAJISCTD-UHFFFAOYSA-N Synonym: 2-diethoxyphosphinyl propanoic acid ethyl ester PubChem CID: 107155 IUPAC Name: ethyl 2-diethoxyphosphorylpropanoate SMILES: CCOC(=O)C(C)P(=O)(OCC)OCC

Alfa Aesar™ n-Octadecylphosphonic acid, 97%

CAS: 4724-47-4 Molecular Formula: C18H39O3P Molecular Weight (g/mol): 334.481 MDL Number: MFCD00015838 InChI Key: FTMKAMVLFVRZQX-UHFFFAOYSA-N Synonym: acmc-209k8h PubChem CID: 78451 IUPAC Name: octadecylphosphonic acid SMILES: CCCCCCCCCCCCCCCCCCP(=O)(O)O

Triethyl 2-phosphonobutyrate, 98%, Acros Organics™

CAS: 17145-91-4 Molecular Formula: C10H21O5P Molecular Weight (g/mol): 252.25 MDL Number: MFCD00041347 InChI Key: GYUCVQSNZFRDRL-UHFFFAOYSA-N Synonym: .alpha.-diethylphosphono butanoic acid, ethyl ester PubChem CID: 229053 IUPAC Name: ethyl 2-diethoxyphosphorylbutanoate SMILES: CCC(C(=O)OCC)P(=O)(OCC)OCC

Dimethyl 2-hydroxyethylphosphonate, 95%, ACROS Organics™

CAS: 54731-72-5 Molecular Formula: C4H11O4P Molecular Weight (g/mol): 154.1 MDL Number: MFCD00043376 InChI Key: TZPPDWDHNIMTDQ-UHFFFAOYSA-N Synonym: 2-diethylphosphono ethan-1-ol PubChem CID: 2733833 IUPAC Name: 2-dimethoxyphosphorylethanol SMILES: COP(=O)(CCO)OC

Dimethyl (1-Diazo-2-oxopropyl)phosphonate 97.0+%, TCI America™

CAS: 90965-06-3 Molecular Formula: C5H9N2O4P Molecular Weight (g/mol): 192.111 MDL Number: MFCD07368360 InChI Key: SQHSJJGGWYIFCD-UHFFFAOYSA-N Synonym: (1-Diazo-2-oxopropyl)phosphonic Acid Dimethyl Ester, Dimethyl 1-Diazoacetonylphosphonate, 1-Diazoacetonylphosphonic Acid Dimethyl Ester, Ohira-Bestmann Reagent PubChem CID: 53397103 IUPAC Name: 1-diazonio-1-dimethoxyphosphorylprop-1-en-2-olate SMILES: CC(=C([N+]#N)P(=O)(OC)OC)[O-]

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

Alfa Aesar™ Phenylphosphonic acid, 98%

CAS: 1571-33-1 Molecular Formula: C6H7O3P Molecular Weight (g/mol): 158.093 MDL Number: MFCD00002136 InChI Key: QLZHNIAADXEJJP-UHFFFAOYSA-N Synonym: benzenephosphonic acid PubChem CID: 15295 IUPAC Name: phenylphosphonic acid SMILES: C1=CC=C(C=C1)P(=O)(O)O

Alfa Aesar™ 1-Octylphosphonic acid, 98%

CAS: 4724-48-5 Molecular Formula: C8H19O3P Molecular Weight (g/mol): 194.211 MDL Number: MFCD00015841 InChI Key: NJGCRMAPOWGWMW-UHFFFAOYSA-N Synonym: 1-octylphosphonic acid PubChem CID: 78452 IUPAC Name: octylphosphonic acid SMILES: CCCCCCCCP(=O)(O)O

Diethyl Cyanophosphonate 95.0+%, TCI America™

CAS: 2942-58-7 Molecular Formula: C5H10NO3P Molecular Weight (g/mol): 163.113 MDL Number: MFCD00010256 InChI Key: ZWWWLCMDTZFSOO-UHFFFAOYSA-N Synonym: cyanophosphonic acid diethyl ester PubChem CID: 76257 IUPAC Name: diethoxyphosphorylformonitrile SMILES: CCOP(=O)(C#N)OCC

Disodium Etidronate Hydrate 98.0+%, TCI America™

CAS: 7414-83-7 Molecular Formula: C2H6Na2O7P2 Molecular Weight (g/mol): 249.99 MDL Number: MFCD00152567 InChI Key: GWBBVOVXJZATQQ-UHFFFAOYSA-L Synonym: didronel PubChem CID: 23894 ChEBI: CHEBI:4906 IUPAC Name: disodium;hydroxy-[1-hydroxy-1-[hydroxy(oxido)phosphoryl]ethyl]phosphinate SMILES: CC(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+]

Alfa Aesar™ Diethyl cyanomethylphosphonate, 98+%

CAS: 2537-48-6 Molecular Formula: C6H12NO3P Molecular Weight (g/mol): 177.14 MDL Number: MFCD00001893 InChI Key: KWMBADTWRIGGGG-UHFFFAOYSA-N Synonym: cyanomethyl phosphonic acid diethyl ester PubChem CID: 75676 IUPAC Name: 2-diethoxyphosphorylacetonitrile SMILES: CCOP(=O)(CC#N)OCC

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