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Organic phosphonic acids and derivatives

Organic compounds that consist of phosphonic acid with organic functional group substitutions; includes compounds that are derived from organic phosphonic acids.
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1 – 15 of 208 results
1

Thermo Scientific™ Iodoacetamido-LC-Phosphonic Acid (6C-CysPAT)

Iodoacetamido-LC-Phosphonic Acid (6C-CysPAT) is a sulfhydryl-reactive alkylating reagent that contains a phosphonic acid group for enrichment of cysteine-containing peptides for mass spectrometry analysis.

2

Trimethyl 4-phosphonocrotonate, (E)+(Z), 90+%

CAS: 86120-40-3 Molecular Formula: C7H13O5P Molecular Weight (g/mol): 208.15 MDL Number: MFCD00051564 InChI Key: PESRINKNQQZURC-SNAWJCMRSA-N Synonym: methyl 4-dimethoxyphosphoryl but-2-enoate,trimethyl 4-phosphonocrotonate,methyl 2e-4-dimethoxyphosphoryl but-2-enoate,methyl 4-dimethoxyphosphorylbut-2-enoate,trimethyl 4-phosphonocrotonate, e + z,methyl e-4-dimethoxyphosphorylbut-2-enoate,4-dimethoxyphosphinyl crotonic acid methyl ester,e-4-dimethoxy-phosphoryl-but-2-enoic acid methyl ester PubChem CID: 5702556 IUPAC Name: methyl (E)-4-dimethoxyphosphorylbut-2-enoate SMILES: COC(=O)\C=C\CP(=O)(OC)OC

PubChem CID 5702556
CAS 86120-40-3
Molecular Weight (g/mol) 208.15
MDL Number MFCD00051564
SMILES COC(=O)\C=C\CP(=O)(OC)OC
Synonym methyl 4-dimethoxyphosphoryl but-2-enoate,trimethyl 4-phosphonocrotonate,methyl 2e-4-dimethoxyphosphoryl but-2-enoate,methyl 4-dimethoxyphosphorylbut-2-enoate,trimethyl 4-phosphonocrotonate, e + z,methyl e-4-dimethoxyphosphorylbut-2-enoate,4-dimethoxyphosphinyl crotonic acid methyl ester,e-4-dimethoxy-phosphoryl-but-2-enoic acid methyl ester
IUPAC Name methyl (E)-4-dimethoxyphosphorylbut-2-enoate
InChI Key PESRINKNQQZURC-SNAWJCMRSA-N
Molecular Formula C7H13O5P
3

1,2-Ethylenediphosphonic acid, 97%

CAS: 6145-31-9 Molecular Formula: C2H8O6P2 Molecular Weight (g/mol): 190.028 MDL Number: MFCD00013958 InChI Key: XYJLPCAKKYOLGU-UHFFFAOYSA-N Synonym: 1,2-ethylenediphosphonic acid,1,2-ethanediphosphonic acid,phosphonic acid, ethylenedi,phosphonic acid, 1,2-ethanediylbis,1,2-ethanebisphosphonic acid,1,2-ethanediylbisphosphonic acid,ethylenediphosphonic acid,phosphonic acid, ethylenedi-6ci,7ci,8ci,ethane-1,2-diylbis phosphonicacid,ethylenebisphosphonic acid PubChem CID: 80247 IUPAC Name: 2-phosphonoethylphosphonic acid SMILES: C(CP(=O)(O)O)P(=O)(O)O

PubChem CID 80247
CAS 6145-31-9
Molecular Weight (g/mol) 190.028
MDL Number MFCD00013958
SMILES C(CP(=O)(O)O)P(=O)(O)O
Synonym 1,2-ethylenediphosphonic acid,1,2-ethanediphosphonic acid,phosphonic acid, ethylenedi,phosphonic acid, 1,2-ethanediylbis,1,2-ethanebisphosphonic acid,1,2-ethanediylbisphosphonic acid,ethylenediphosphonic acid,phosphonic acid, ethylenedi-6ci,7ci,8ci,ethane-1,2-diylbis phosphonicacid,ethylenebisphosphonic acid
IUPAC Name 2-phosphonoethylphosphonic acid
InChI Key XYJLPCAKKYOLGU-UHFFFAOYSA-N
Molecular Formula C2H8O6P2
4

Triethyl 4-phosphonobutyrate, 97%

CAS: 2327-69-7 Molecular Formula: C10H21O5P Molecular Weight (g/mol): 252.247 MDL Number: MFCD00015168 InChI Key: FYESTJSRASJZOY-UHFFFAOYSA-N PubChem CID: 281201 IUPAC Name: ethyl 4-diethoxyphosphorylbutanoate SMILES: CCOC(=O)CCCP(=O)(OCC)OCC

PubChem CID 281201
CAS 2327-69-7
Molecular Weight (g/mol) 252.247
MDL Number MFCD00015168
SMILES CCOC(=O)CCCP(=O)(OCC)OCC
IUPAC Name ethyl 4-diethoxyphosphorylbutanoate
InChI Key FYESTJSRASJZOY-UHFFFAOYSA-N
Molecular Formula C10H21O5P
5

Triethyl 2-fluoro-2-phosphonoacetate, 96%

CAS: 2356-16-3 Molecular Formula: C8H16FO5P Molecular Weight (g/mol): 242.183 MDL Number: MFCD00134400 InChI Key: FVPISMANESAJQZ-UHFFFAOYSA-N Synonym: triethyl 2-fluoro-2-phosphonoacetate,2-fluoro-2-phosphonoacetic acid triethyl ester,ethyl 2-diethoxyphosphoryl-2-fluoroacetate,triethyl phosphonofluoroacetate,ethyl diethoxyphosphoryl fluoro acetate,triethyl-2-fluoro-2-phosphonoacetate,acetic acid, diethoxyphosphinyl fluoro-, ethyl ester,2-fluoro-2-phosphonoacetic acidtriethylester,diethyl ethoxycarbonyl fluoromethyl phosphonate,diethoxyphosphinyl fluoroacetic acid ethyl ester PubChem CID: 2734865 IUPAC Name: ethyl 2-diethoxyphosphoryl-2-fluoroacetate SMILES: CCOC(=O)C(F)P(=O)(OCC)OCC

PubChem CID 2734865
CAS 2356-16-3
Molecular Weight (g/mol) 242.183
MDL Number MFCD00134400
SMILES CCOC(=O)C(F)P(=O)(OCC)OCC
Synonym triethyl 2-fluoro-2-phosphonoacetate,2-fluoro-2-phosphonoacetic acid triethyl ester,ethyl 2-diethoxyphosphoryl-2-fluoroacetate,triethyl phosphonofluoroacetate,ethyl diethoxyphosphoryl fluoro acetate,triethyl-2-fluoro-2-phosphonoacetate,acetic acid, diethoxyphosphinyl fluoro-, ethyl ester,2-fluoro-2-phosphonoacetic acidtriethylester,diethyl ethoxycarbonyl fluoromethyl phosphonate,diethoxyphosphinyl fluoroacetic acid ethyl ester
IUPAC Name ethyl 2-diethoxyphosphoryl-2-fluoroacetate
InChI Key FVPISMANESAJQZ-UHFFFAOYSA-N
Molecular Formula C8H16FO5P
6

Diethyl benzylphosphonate, 99%

CAS: 1080-32-6 Molecular Formula: C11H17O3P Molecular Weight (g/mol): 228.228 MDL Number: MFCD00009078 InChI Key: AIPRAPZUGUTQKX-UHFFFAOYSA-N Synonym: diethyl benzylphosphonate,benzylphosphonic acid diethyl ester,diethoxyphosphonomethylbenzene,diethyl phosphonate, benzyl,phosphonic acid, phenylmethyl-, diethyl ester,unii-t6d4qwt656,diethylbenzylphosphonate,phosphonic acid, benzyl-, diethyl ester,diethyl phenylmethyl phosphonate,phosphonic acid, p-phenylmethyl-, diethyl ester PubChem CID: 14122 IUPAC Name: diethoxyphosphorylmethylbenzene SMILES: CCOP(=O)(CC1=CC=CC=C1)OCC

PubChem CID 14122
CAS 1080-32-6
Molecular Weight (g/mol) 228.228
MDL Number MFCD00009078
SMILES CCOP(=O)(CC1=CC=CC=C1)OCC
Synonym diethyl benzylphosphonate,benzylphosphonic acid diethyl ester,diethoxyphosphonomethylbenzene,diethyl phosphonate, benzyl,phosphonic acid, phenylmethyl-, diethyl ester,unii-t6d4qwt656,diethylbenzylphosphonate,phosphonic acid, benzyl-, diethyl ester,diethyl phenylmethyl phosphonate,phosphonic acid, p-phenylmethyl-, diethyl ester
IUPAC Name diethoxyphosphorylmethylbenzene
InChI Key AIPRAPZUGUTQKX-UHFFFAOYSA-N
Molecular Formula C11H17O3P
7

Triethyl 2-phosphonopentanoate, 98%

CAS: 35051-49-1 Molecular Formula: C11H23O5P Molecular Weight (g/mol): 266.274 MDL Number: MFCD00015163 InChI Key: BUPVIVDUPRDDFI-UHFFFAOYSA-N Synonym: triethyl 2-phosphonopentanoate,ethyl 2-diethoxyphosphoryl pentanoate,pentanoic acid, 2-diethoxyphosphinyl-, ethyl ester,valeric acid, 2-diethylphosphono-, ethyl ester,alpha-carbethoxybutylphosphonic acid, diethyl ester,triethyl 2-phosphonovalerate,phosphonic acid, alpha-carbethoxybutyl-, diethyl ester,ethyl 2-diethoxyphosphoryl pentanoate #,diethyl 1-ethoxycarbonyl butylphosphonate PubChem CID: 98244 IUPAC Name: ethyl 2-diethoxyphosphorylpentanoate SMILES: CCCC(C(=O)OCC)P(=O)(OCC)OCC

PubChem CID 98244
CAS 35051-49-1
Molecular Weight (g/mol) 266.274
MDL Number MFCD00015163
SMILES CCCC(C(=O)OCC)P(=O)(OCC)OCC
Synonym triethyl 2-phosphonopentanoate,ethyl 2-diethoxyphosphoryl pentanoate,pentanoic acid, 2-diethoxyphosphinyl-, ethyl ester,valeric acid, 2-diethylphosphono-, ethyl ester,alpha-carbethoxybutylphosphonic acid, diethyl ester,triethyl 2-phosphonovalerate,phosphonic acid, alpha-carbethoxybutyl-, diethyl ester,ethyl 2-diethoxyphosphoryl pentanoate #,diethyl 1-ethoxycarbonyl butylphosphonate
IUPAC Name ethyl 2-diethoxyphosphorylpentanoate
InChI Key BUPVIVDUPRDDFI-UHFFFAOYSA-N
Molecular Formula C11H23O5P
8

1-Dodecylphosphonic acid, 95%

CAS: 5137-70-2 Molecular Formula: C12H27O3P Molecular Weight (g/mol): 250.32 MDL Number: MFCD00015832 InChI Key: SVMUEEINWGBIPD-UHFFFAOYSA-N Synonym: n-dodecylphosphonic acid,phosphonic acid, dodecyl,n-dodecanephosphonic acid,dodecane phosphonic acid,1-dodecanephosphonic acid,n-dodecyl phosphonic acid,dodecyl-phosphonic acid,1-dodecylphosphonic acid,phosphonic acid, p-dodecyl,n-dodecylphosphonicacid PubChem CID: 78816 IUPAC Name: dodecylphosphonic acid SMILES: CCCCCCCCCCCCP(O)(O)=O

PubChem CID 78816
CAS 5137-70-2
Molecular Weight (g/mol) 250.32
MDL Number MFCD00015832
SMILES CCCCCCCCCCCCP(O)(O)=O
Synonym n-dodecylphosphonic acid,phosphonic acid, dodecyl,n-dodecanephosphonic acid,dodecane phosphonic acid,1-dodecanephosphonic acid,n-dodecyl phosphonic acid,dodecyl-phosphonic acid,1-dodecylphosphonic acid,phosphonic acid, p-dodecyl,n-dodecylphosphonicacid
IUPAC Name dodecylphosphonic acid
InChI Key SVMUEEINWGBIPD-UHFFFAOYSA-N
Molecular Formula C12H27O3P
9

Diethyl (3-aminopropyl)phosphonate, 95%, Thermo Scientific Chemicals

CAS: 4402-24-8 Molecular Formula: C7H18NO3P Molecular Weight (g/mol): 195.20 MDL Number: MFCD11110596 InChI Key: DQORFBNFNLHVIM-UHFFFAOYSA-N Synonym: diethyl 3-aminopropyl phosphonate,diethyl 3-aminopropylphosphonate,3-aminopropyl phosphonic acid diethyl ester,diethyl aminopropyl phosphonate,3-aminopropylphosphonic acid diethyl ester,3-aminopropanephosphonic acid diethyl ester,3-amino-propyl-phosphonic acid diethyl ester,diethyl 3-aminopropyl phosphonate 250mg,phosphonic acid, 3-aminopropyl-, diethyl ester PubChem CID: 78113 IUPAC Name: 3-diethoxyphosphorylpropan-1-amine SMILES: CCOP(=O)(CCCN)OCC

PubChem CID 78113
CAS 4402-24-8
Molecular Weight (g/mol) 195.20
MDL Number MFCD11110596
SMILES CCOP(=O)(CCCN)OCC
Synonym diethyl 3-aminopropyl phosphonate,diethyl 3-aminopropylphosphonate,3-aminopropyl phosphonic acid diethyl ester,diethyl aminopropyl phosphonate,3-aminopropylphosphonic acid diethyl ester,3-aminopropanephosphonic acid diethyl ester,3-amino-propyl-phosphonic acid diethyl ester,diethyl 3-aminopropyl phosphonate 250mg,phosphonic acid, 3-aminopropyl-, diethyl ester
IUPAC Name 3-diethoxyphosphorylpropan-1-amine
InChI Key DQORFBNFNLHVIM-UHFFFAOYSA-N
Molecular Formula C7H18NO3P
10

Diethyl (hydroxymethyl)phosphonate, 97%

CAS: 3084-40-0 Molecular Formula: C5H13O4P Molecular Weight (g/mol): 168.13 MDL Number: MFCD00014418 InChI Key: RWIGWWBLTJLKMK-UHFFFAOYSA-N Synonym: diethyl hydroxymethyl phosphonate,diethyl hydroxymethylphosphonate,phosphonic acid, hydroxymethyl-, diethyl ester,hydroxymethyl phosphonic acid, diethyl ester,hydroxymethyl phosphonic acid diethyl ester,phosphonic acid, p-hydroxymethyl-, diethyl ester,acmc-1corl,diethoxyphosphoryl-methanol PubChem CID: 76513 IUPAC Name: diethoxyphosphorylmethanol SMILES: CCOP(=O)(CO)OCC

PubChem CID 76513
CAS 3084-40-0
Molecular Weight (g/mol) 168.13
MDL Number MFCD00014418
SMILES CCOP(=O)(CO)OCC
Synonym diethyl hydroxymethyl phosphonate,diethyl hydroxymethylphosphonate,phosphonic acid, hydroxymethyl-, diethyl ester,hydroxymethyl phosphonic acid, diethyl ester,hydroxymethyl phosphonic acid diethyl ester,phosphonic acid, p-hydroxymethyl-, diethyl ester,acmc-1corl,diethoxyphosphoryl-methanol
IUPAC Name diethoxyphosphorylmethanol
InChI Key RWIGWWBLTJLKMK-UHFFFAOYSA-N
Molecular Formula C5H13O4P
11

Benzyl dimethyl phosphonoacetate, 98%

CAS: 57443-18-2 Molecular Formula: C11H15O5P Molecular Weight (g/mol): 258.21 MDL Number: MFCD01872507 InChI Key: QYLGNJMIOVHLQQ-UHFFFAOYSA-N Synonym: benzyl dimethylphosphonoacetate,benzyl 2-dimethoxyphosphoryl acetate,benzyl dimethyl phosphonoacetate,dimethyl benzyloxycarbonyl methyl phosphonate,acetic acid, dimethoxyphosphinyl-, phenylmethyl ester,acmc-209ly9,benzyl dimethylphosphonoethanoate,dimethyl cbz-methyl phosphonate,benzyl dimethoxyphosphoryl acetate,benzyl-2-dimethoxyphosphoryl acetate PubChem CID: 2773759 IUPAC Name: benzyl 2-dimethoxyphosphorylacetate SMILES: COP(=O)(CC(=O)OCC1=CC=CC=C1)OC

PubChem CID 2773759
CAS 57443-18-2
Molecular Weight (g/mol) 258.21
MDL Number MFCD01872507
SMILES COP(=O)(CC(=O)OCC1=CC=CC=C1)OC
Synonym benzyl dimethylphosphonoacetate,benzyl 2-dimethoxyphosphoryl acetate,benzyl dimethyl phosphonoacetate,dimethyl benzyloxycarbonyl methyl phosphonate,acetic acid, dimethoxyphosphinyl-, phenylmethyl ester,acmc-209ly9,benzyl dimethylphosphonoethanoate,dimethyl cbz-methyl phosphonate,benzyl dimethoxyphosphoryl acetate,benzyl-2-dimethoxyphosphoryl acetate
IUPAC Name benzyl 2-dimethoxyphosphorylacetate
InChI Key QYLGNJMIOVHLQQ-UHFFFAOYSA-N
Molecular Formula C11H15O5P
12

Methylenediphosphonic acid, 98+%

CAS: 1984-15-2 Molecular Formula: CH4Na2O6P2 Molecular Weight (g/mol): 219.96 MDL Number: MFCD00002139 InChI Key: RXSYPQBNTPQOTQ-UHFFFAOYSA-L Synonym: methylenediphosphonic acid,medronic acid,acido medronico,methylene diphosphonate,acide medronique,acidum medronicum,phosphonic acid, methylenebis,methylenebis phosphonic acid,mdp-bracco,methanediphosphonic acid PubChem CID: 16124 ChEBI: CHEBI:43945 IUPAC Name: phosphonomethylphosphonic acid SMILES: [Na+].[Na+].OP([O-])(=O)CP(O)([O-])=O

PubChem CID 16124
CAS 1984-15-2
Molecular Weight (g/mol) 219.96
ChEBI CHEBI:43945
MDL Number MFCD00002139
SMILES [Na+].[Na+].OP([O-])(=O)CP(O)([O-])=O
Synonym methylenediphosphonic acid,medronic acid,acido medronico,methylene diphosphonate,acide medronique,acidum medronicum,phosphonic acid, methylenebis,methylenebis phosphonic acid,mdp-bracco,methanediphosphonic acid
IUPAC Name phosphonomethylphosphonic acid
InChI Key RXSYPQBNTPQOTQ-UHFFFAOYSA-L
Molecular Formula CH4Na2O6P2
13

Triethyl phosphonoacetate, 97%

CAS: 867-13-0 Molecular Formula: C8H17O5P Molecular Weight (g/mol): 224.19 InChI Key: GGUBFICZYGKNTD-UHFFFAOYSA-N Synonym: triethyl phosphonoacetate,ethyl 2-diethoxyphosphoryl acetate,ethyl diethoxyphosphoryl acetate,ethyl diethylphosphono acetate,triethyl phosphonoethanoate,diethyl carboethoxymethylphosphonate,diethyl ethoxycarbonylmethanephosphonate,diethylphosphonoacetic acid ethyl ester,diethyl carbethoxymethylphosphonate PubChem CID: 13345 IUPAC Name: ethyl 2-diethoxyphosphorylacetate SMILES: CCOC(=O)CP(=O)(OCC)OCC

PubChem CID 13345
CAS 867-13-0
Molecular Weight (g/mol) 224.19
SMILES CCOC(=O)CP(=O)(OCC)OCC
Synonym triethyl phosphonoacetate,ethyl 2-diethoxyphosphoryl acetate,ethyl diethoxyphosphoryl acetate,ethyl diethylphosphono acetate,triethyl phosphonoethanoate,diethyl carboethoxymethylphosphonate,diethyl ethoxycarbonylmethanephosphonate,diethylphosphonoacetic acid ethyl ester,diethyl carbethoxymethylphosphonate
IUPAC Name ethyl 2-diethoxyphosphorylacetate
InChI Key GGUBFICZYGKNTD-UHFFFAOYSA-N
Molecular Formula C8H17O5P
14

Diethyl n-dodecylphosphonate, ≥97%, Thermo Scientific Chemicals

CAS: 4844-38-6 Molecular Formula: C16H35O3P Molecular Weight (g/mol): 306.427 MDL Number: MFCD00015595 InChI Key: LRIWHHSVZCKNJL-UHFFFAOYSA-N Synonym: diethyl dodecylphosphonate,phosphonic acid, dodecyl-, diethyl ester,diethyl 1-dodecyl phosphonate,phosphonic acid, p-dodecyl-, diethyl ester,dodecylphosphonic acid diethyl ester,phosphonic acid,p-dodecyl-, diethyl ester PubChem CID: 78558 IUPAC Name: 1-diethoxyphosphoryldodecane SMILES: CCCCCCCCCCCCP(=O)(OCC)OCC

PubChem CID 78558
CAS 4844-38-6
Molecular Weight (g/mol) 306.427
MDL Number MFCD00015595
SMILES CCCCCCCCCCCCP(=O)(OCC)OCC
Synonym diethyl dodecylphosphonate,phosphonic acid, dodecyl-, diethyl ester,diethyl 1-dodecyl phosphonate,phosphonic acid, p-dodecyl-, diethyl ester,dodecylphosphonic acid diethyl ester,phosphonic acid,p-dodecyl-, diethyl ester
IUPAC Name 1-diethoxyphosphoryldodecane
InChI Key LRIWHHSVZCKNJL-UHFFFAOYSA-N
Molecular Formula C16H35O3P
15

Diethyl 1-tetradecylphosphonate, 97+%

CAS: 5191-09-3 MDL Number: MFCD00015597 InChI Key: CPWIYYOBPHXJIA-UHFFFAOYSA-N PubChem CID: 640154 SMILES: CCCCCCCCCCCCCCP(=O)(OCC)OCC

PubChem CID 640154
CAS 5191-09-3
MDL Number MFCD00015597
SMILES CCCCCCCCCCCCCCP(=O)(OCC)OCC
InChI Key CPWIYYOBPHXJIA-UHFFFAOYSA-N