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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

Spectrum Chemical Manufacturing Corporation Dimethyl Methylphosphonate, Spectrum™ Chemical
SDP

2

Phenylphosphonic acid, 98%, Thermo Scientific Chemicals

CAS: 1571-33-1 Molecular Formula: C6H7O3P Molecular Weight (g/mol): 158.09 MDL Number: MFCD00002136 InChI Key: QLZHNIAADXEJJP-UHFFFAOYSA-N Synonym: benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r PubChem CID: 15295 IUPAC Name: phenylphosphonic acid SMILES: OP(O)(=O)C1=CC=CC=C1

PubChem CID 15295
CAS 1571-33-1
Molecular Weight (g/mol) 158.09
MDL Number MFCD00002136
SMILES OP(O)(=O)C1=CC=CC=C1
Synonym benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r
IUPAC Name phenylphosphonic acid
InChI Key QLZHNIAADXEJJP-UHFFFAOYSA-N
Molecular Formula C6H7O3P
3

Nitrilotris(methylenephosphonic Acid) (ca. 50% in Water, ca. 2.2mol/L), TCI America™

CAS: 6419-19-8 Molecular Formula: C3H12NO9P3 Molecular Weight (g/mol): 299.048 MDL Number: MFCD00002138 InChI Key: YDONNITUKPKTIG-UHFFFAOYSA-N Synonym: nitrilotris methylene triphosphonic acid,tris phosphonomethyl amine,ferrofos 509,aminotrimethylene phosphonic acid,dowell l 37,dequest 2000,nitrilotrimethylphosphonic acid,nitrilotris methylenephosphonic acid,aminotris methylphosphonic acid,aminotri methylenephosphonic acid PubChem CID: 16698 IUPAC Name: [bis(phosphonomethyl)amino]methylphosphonic acid SMILES: C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O

PubChem CID 16698
CAS 6419-19-8
Molecular Weight (g/mol) 299.048
MDL Number MFCD00002138
SMILES C(N(CP(=O)(O)O)CP(=O)(O)O)P(=O)(O)O
Synonym nitrilotris methylene triphosphonic acid,tris phosphonomethyl amine,ferrofos 509,aminotrimethylene phosphonic acid,dowell l 37,dequest 2000,nitrilotrimethylphosphonic acid,nitrilotris methylenephosphonic acid,aminotris methylphosphonic acid,aminotri methylenephosphonic acid
IUPAC Name [bis(phosphonomethyl)amino]methylphosphonic acid
InChI Key YDONNITUKPKTIG-UHFFFAOYSA-N
Molecular Formula C3H12NO9P3
4

Phenylphosphonic acid, 98%

CAS: 1571-33-1 Molecular Formula: C6H7O3P Molecular Weight (g/mol): 158.09 MDL Number: MFCD00002136 InChI Key: QLZHNIAADXEJJP-UHFFFAOYSA-N Synonym: benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r PubChem CID: 15295 IUPAC Name: phenylphosphonic acid SMILES: OP(O)(=O)C1=CC=CC=C1

PubChem CID 15295
CAS 1571-33-1
Molecular Weight (g/mol) 158.09
MDL Number MFCD00002136
SMILES OP(O)(=O)C1=CC=CC=C1
Synonym benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r
IUPAC Name phenylphosphonic acid
InChI Key QLZHNIAADXEJJP-UHFFFAOYSA-N
Molecular Formula C6H7O3P
5

Etidronic Acid, Approx. 60%, Spectrum™ Chemical
SDP

CAS: 2809-21-4 Molecular Formula: C2H8O7P2 Molecular Weight (g/mol): 206.03 InChI Key: DBVJJBKOTRCVKF-UHFFFAOYSA-N IUPAC Name: (1-hydroxy-1-phosphonoethyl)phosphonic acid SMILES: CC(O)(P(O)(O)=O)P(O)(O)=O

CAS 2809-21-4
Molecular Weight (g/mol) 206.03
SMILES CC(O)(P(O)(O)=O)P(O)(O)=O
IUPAC Name (1-hydroxy-1-phosphonoethyl)phosphonic acid
InChI Key DBVJJBKOTRCVKF-UHFFFAOYSA-N
Molecular Formula C2H8O7P2
6

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
7

Phenylphosphonic Acid 98.0+%, TCI America™

CAS: 1571-33-1 Molecular Formula: C6H7O3P Molecular Weight (g/mol): 158.09 MDL Number: MFCD00002136 InChI Key: QLZHNIAADXEJJP-UHFFFAOYSA-N Synonym: benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r PubChem CID: 15295 IUPAC Name: phenylphosphonic acid SMILES: OP(O)(=O)C1=CC=CC=C1

PubChem CID 15295
CAS 1571-33-1
Molecular Weight (g/mol) 158.09
MDL Number MFCD00002136
SMILES OP(O)(=O)C1=CC=CC=C1
Synonym benzenephosphonic acid,phosphonic acid, phenyl,phenyl-phosphonic acid,phosphonic acid, p-phenyl,phenyl phosphonic acid,unii-byd76t2868,sv7,pubchem21303,phosphonic acid,phenyl,wln: qpqo&r
IUPAC Name phenylphosphonic acid
InChI Key QLZHNIAADXEJJP-UHFFFAOYSA-N
Molecular Formula C6H7O3P
8

N,N,N',N'-Ethylenediaminetetrakis(methylenephosphonic Acid) 98.0+%, TCI America™

CAS: 1429-50-1 Molecular Formula: C6H20N2O12P4 Molecular Weight (g/mol): 436.123 MDL Number: MFCD00058893 InChI Key: NFDRPXJGHKJRLJ-UHFFFAOYSA-N Synonym: edtmp,edtpo,ethylenebis nitrilodimethylene tetraphosphonic acid,unii-v4cp8rsx7v,v4cp8rsx7v,ethylenediamine tetrakis methylene phosphonic acid,ethane-1,2-diylbis azanetriyl tetrakis methylene tetraphosphonic acid,ethylenedinitrilo-tetramethylenephosphonic acid,ethylenediamine tetramethylenephosphonic acid,n,n,n',n'-ethylenediaminetetrakis methylenephosphonic acid PubChem CID: 15025 IUPAC Name: [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid SMILES: C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O

PubChem CID 15025
CAS 1429-50-1
Molecular Weight (g/mol) 436.123
MDL Number MFCD00058893
SMILES C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CP(=O)(O)O)CP(=O)(O)O
Synonym edtmp,edtpo,ethylenebis nitrilodimethylene tetraphosphonic acid,unii-v4cp8rsx7v,v4cp8rsx7v,ethylenediamine tetrakis methylene phosphonic acid,ethane-1,2-diylbis azanetriyl tetrakis methylene tetraphosphonic acid,ethylenedinitrilo-tetramethylenephosphonic acid,ethylenediamine tetramethylenephosphonic acid,n,n,n',n'-ethylenediaminetetrakis methylenephosphonic acid
IUPAC Name [2-[bis(phosphonomethyl)amino]ethyl-(phosphonomethyl)amino]methylphosphonic acid
InChI Key NFDRPXJGHKJRLJ-UHFFFAOYSA-N
Molecular Formula C6H20N2O12P4
9

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
10

Trimethyl phosphonoacetate, 98%

CAS: 5927-18-4 Molecular Formula: C5H11O5P Molecular Weight (g/mol): 182.11 InChI Key: SIGOIUCRXKUEIG-UHFFFAOYSA-N Synonym: trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate PubChem CID: 80029 IUPAC Name: methyl 2-dimethoxyphosphorylacetate SMILES: COC(=O)CP(=O)(OC)OC

PubChem CID 80029
CAS 5927-18-4
Molecular Weight (g/mol) 182.11
SMILES COC(=O)CP(=O)(OC)OC
Synonym trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate
IUPAC Name methyl 2-dimethoxyphosphorylacetate
InChI Key SIGOIUCRXKUEIG-UHFFFAOYSA-N
Molecular Formula C5H11O5P
11

Triethyl phosphonoacetate, 98+%

CAS: 867-13-0 Molecular Formula: C8H17O5P Molecular Weight (g/mol): 224.193 MDL Number: MFCD00009177 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) 224.193
MDL Number MFCD00009177
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
12

Triethyl Phosphonoacetate 97.0+%, TCI America™

CAS: 867-13-0 Molecular Formula: C8H17O5P Molecular Weight (g/mol): 224.193 MDL Number: MFCD00009177 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) 224.193
MDL Number MFCD00009177
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
13

Trimethyl phosphonoacetate, 98%

CAS: 5927-18-4 Molecular Formula: C5H11O5P Molecular Weight (g/mol): 182.112 MDL Number: MFCD00008452 InChI Key: SIGOIUCRXKUEIG-UHFFFAOYSA-N Synonym: trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate PubChem CID: 80029 IUPAC Name: methyl 2-dimethoxyphosphorylacetate SMILES: COC(=O)CP(=O)(OC)OC

PubChem CID 80029
CAS 5927-18-4
Molecular Weight (g/mol) 182.112
MDL Number MFCD00008452
SMILES COC(=O)CP(=O)(OC)OC
Synonym trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate
IUPAC Name methyl 2-dimethoxyphosphorylacetate
InChI Key SIGOIUCRXKUEIG-UHFFFAOYSA-N
Molecular Formula C5H11O5P
14

Methyl diethylphosphonoacetate, 97%

CAS: 1067-74-9 Molecular Formula: C7H15O5P Molecular Weight (g/mol): 210.166 MDL Number: MFCD00009081 InChI Key: CTSAXXHOGZNKJR-UHFFFAOYSA-N Synonym: methyl diethylphosphonoacetate,methyl 2-diethoxyphosphoryl acetate,acetic acid, diethoxyphosphinyl-, methyl ester,diethylmethylphosphonoacetate,methyl diethoxyphosphoryl acetate,diethyl carbomethoxymethylphosphonate,methyl 2-diethoxycarbonyl acetate,methyldiethylphosphonoacetate,diethyl methylphosphonoacetate,ksc489e0f PubChem CID: 66113 IUPAC Name: methyl 2-diethoxyphosphorylacetate SMILES: CCOP(=O)(CC(=O)OC)OCC

PubChem CID 66113
CAS 1067-74-9
Molecular Weight (g/mol) 210.166
MDL Number MFCD00009081
SMILES CCOP(=O)(CC(=O)OC)OCC
Synonym methyl diethylphosphonoacetate,methyl 2-diethoxyphosphoryl acetate,acetic acid, diethoxyphosphinyl-, methyl ester,diethylmethylphosphonoacetate,methyl diethoxyphosphoryl acetate,diethyl carbomethoxymethylphosphonate,methyl 2-diethoxycarbonyl acetate,methyldiethylphosphonoacetate,diethyl methylphosphonoacetate,ksc489e0f
IUPAC Name methyl 2-diethoxyphosphorylacetate
InChI Key CTSAXXHOGZNKJR-UHFFFAOYSA-N
Molecular Formula C7H15O5P
15

Diethyl cyanomethylphosphonate, 96%

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

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