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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[(Methylamino)methyl] Phosphonic Acid, TRC

CAS: 35404-71-8 Molecular Formula: C2 H8 N O3 P Molecular Weight (g/mol): 125.064 Synonym: P-[(Methylamino)methyl]phosphonic Acid,[(Methylamino)methyl]phosphonic Acid,NSC 244826 IUPAC Name: methylaminomethylphosphonic acid SMILES: CNCP(=O)(O)O

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CAS	35404-71-8
Molecular Weight (g/mol)	125.064
SMILES	CNCP(=O)(O)O
Synonym	P-[(Methylamino)methyl]phosphonic Acid,[(Methylamino)methyl]phosphonic Acid,NSC 244826
IUPAC Name	methylaminomethylphosphonic acid
Molecular Formula	C2 H8 N O3 P

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

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Specifications

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

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

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Specifications

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

Diethyl 4-aminobenzylphosphonate, 99%

CAS: 20074-79-7 Molecular Formula: C11H18NO3P Molecular Weight (g/mol): 243.24 MDL Number: MFCD00007913 InChI Key: ZVAYUUUQOCPZCZ-UHFFFAOYSA-N Synonym: diethyl 4-aminobenzylphosphonate,diethyl p-aminobenzylphosphonate,4-diethoxyphosphorylmethyl aniline,p-aminobenzylphosphonic acid diethyl ester,diethyl p-aminobenzyl phosphonate,phosphonic acid, p-aminobenzyl-, diethyl ester,diethyl 4-aminophenyl methylphosphonate,phosphonic acid, 4-aminophenyl methyl-, diethyl ester,timtec-bb sbb000830 PubChem CID: 88358 SMILES: CCOP(=O)(CC1=CC=C(N)C=C1)OCC

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Specifications

PubChem CID	88358
CAS	20074-79-7
Molecular Weight (g/mol)	243.24
MDL Number	MFCD00007913
SMILES	CCOP(=O)(CC1=CC=C(N)C=C1)OCC
Synonym	diethyl 4-aminobenzylphosphonate,diethyl p-aminobenzylphosphonate,4-diethoxyphosphorylmethyl aniline,p-aminobenzylphosphonic acid diethyl ester,diethyl p-aminobenzyl phosphonate,phosphonic acid, p-aminobenzyl-, diethyl ester,diethyl 4-aminophenyl methylphosphonate,phosphonic acid, 4-aminophenyl methyl-, diethyl ester,timtec-bb sbb000830
InChI Key	ZVAYUUUQOCPZCZ-UHFFFAOYSA-N
Molecular Formula	C11H18NO3P

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: alendronate sodium hydrate,alendronate sodium trihydrate,alendronate sodium,alendronate monosodium trihydrate,alendros,adronat,fosamax,sodium alendronate hydrate,elandor,fosalan 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+]

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Specifications

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

(2-Aminoethyl)phosphonic acid, 99%, Thermo Scientific Chemicals

CAS: 2041-14-7 Molecular Formula: C2H8NO3P Molecular Weight (g/mol): 125.06 MDL Number: MFCD00008182 InChI Key: QQVDJLLNRSOCEL-UHFFFAOYSA-N Synonym: 2-aminoethyl phosphonic acid,ciliatine,phosphonoethylamine,aminoethylphosphonic acid,2-aminoethane phosphonic acid,2-aminoethanephosphonic acid,2-aminoethylphosphonate,beta-aminoethylphosphonic acid,2-aminoethyl phosphonate,phosphonic acid, 2-aminoethyl PubChem CID: 339 ChEBI: CHEBI:15573 IUPAC Name: 2-aminoethylphosphonic acid SMILES: NCCP(O)(O)=O

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Specifications

PubChem CID	339
CAS	2041-14-7
Molecular Weight (g/mol)	125.06
ChEBI	CHEBI:15573
MDL Number	MFCD00008182
SMILES	NCCP(O)(O)=O
Synonym	2-aminoethyl phosphonic acid,ciliatine,phosphonoethylamine,aminoethylphosphonic acid,2-aminoethane phosphonic acid,2-aminoethanephosphonic acid,2-aminoethylphosphonate,beta-aminoethylphosphonic acid,2-aminoethyl phosphonate,phosphonic acid, 2-aminoethyl
IUPAC Name	2-aminoethylphosphonic acid
InChI Key	QQVDJLLNRSOCEL-UHFFFAOYSA-N
Molecular Formula	C2H8NO3P

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: n-octylphosphonic acid,1-octylphosphonic acid,phosphonic acid, octyl,phosphonic acid, p-octyl,unii-95c2aw87bo,octylphosphonicacid,acmc-209uni,p-octyl-phosphonic acid,octylphosphonic acid,dsstox_cid_24679 PubChem CID: 78452 IUPAC Name: octylphosphonic acid SMILES: CCCCCCCCP(=O)(O)O

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Specifications

PubChem CID	78452
CAS	4724-48-5
Molecular Weight (g/mol)	194.211
MDL Number	MFCD00015841
SMILES	CCCCCCCCP(=O)(O)O
Synonym	n-octylphosphonic acid,1-octylphosphonic acid,phosphonic acid, octyl,phosphonic acid, p-octyl,unii-95c2aw87bo,octylphosphonicacid,acmc-209uni,p-octyl-phosphonic acid,octylphosphonic acid,dsstox_cid_24679
IUPAC Name	octylphosphonic acid
InChI Key	NJGCRMAPOWGWMW-UHFFFAOYSA-N
Molecular Formula	C8H19O3P

1-Butylphosphonic acid, 98%

CAS: 3321-64-0 Molecular Formula: C4H11O3P Molecular Weight (g/mol): 138.10 MDL Number: MFCD00012295 InChI Key: UOKRBSXOBUKDGE-UHFFFAOYSA-N Synonym: n-butylphosphonic acid,1-butanephosphonic acid,butylphosphonate,1-butylphosphonic acid,phosphonic acid, butyl,n-butyl phosphonic acid,acmc-1cr41 PubChem CID: 76839 ChEBI: CHEBI:41384 IUPAC Name: butylphosphonic acid SMILES: CCCCP(O)(O)=O

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Specifications

PubChem CID	76839
CAS	3321-64-0
Molecular Weight (g/mol)	138.10
ChEBI	CHEBI:41384
MDL Number	MFCD00012295
SMILES	CCCCP(O)(O)=O
Synonym	n-butylphosphonic acid,1-butanephosphonic acid,butylphosphonate,1-butylphosphonic acid,phosphonic acid, butyl,n-butyl phosphonic acid,acmc-1cr41
IUPAC Name	butylphosphonic acid
InChI Key	UOKRBSXOBUKDGE-UHFFFAOYSA-N
Molecular Formula	C4H11O3P

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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.

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Methylenediphosphonic acid, 98+%

CAS: 1984-15-2 Molecular Formula: CH6O6P2 Molecular Weight (g/mol): 176.00 MDL Number: MFCD00002139 InChI Key: MBKDYNNUVRNNRF-UHFFFAOYSA-N 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: (phosphonomethyl)phosphonic acid SMILES: OP(O)(=O)CP(O)(O)=O

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Specifications

PubChem CID	16124
CAS	1984-15-2
Molecular Weight (g/mol)	176.00
ChEBI	CHEBI:43945
MDL Number	MFCD00002139
SMILES	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	(phosphonomethyl)phosphonic acid
InChI Key	MBKDYNNUVRNNRF-UHFFFAOYSA-N
Molecular Formula	CH6O6P2

Diethyl (3,3-diethoxypropyl)phosphonate, 95%, stabilized with max. 1% w/w Na2CO3

CAS: 15110-17-5 Molecular Formula: C₁₁H₂₅O₅P Molecular Weight (g/mol): 268.29 MDL Number: MFCD00800259 InChI Key: WKPXMGJOGYEGNW-UHFFFAOYSA-N Synonym: diethyl 3,3-diethoxypropyl phosphonate,diethyl 3,3-diethoxypropylphosphonate,phosphonic acid, p-3,3-diethoxypropyl-, diethyl ester,3-diethoxyphosphoryl-1,1-diethoxy-propane,3-diethoxyphosphoryl propanaldehyde diethyl acetal,phosphonic acid,p-3,3-diethoxypropyl-, diethyl ester PubChem CID: 328856 IUPAC Name: 3-diethoxyphosphoryl-1,1-diethoxypropane SMILES: CCOC(CCP(=O)(OCC)OCC)OCC

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Specifications

PubChem CID	328856
CAS	15110-17-5
Molecular Weight (g/mol)	268.29
MDL Number	MFCD00800259
SMILES	CCOC(CCP(=O)(OCC)OCC)OCC
Synonym	diethyl 3,3-diethoxypropyl phosphonate,diethyl 3,3-diethoxypropylphosphonate,phosphonic acid, p-3,3-diethoxypropyl-, diethyl ester,3-diethoxyphosphoryl-1,1-diethoxy-propane,3-diethoxyphosphoryl propanaldehyde diethyl acetal,phosphonic acid,p-3,3-diethoxypropyl-, diethyl ester
IUPAC Name	3-diethoxyphosphoryl-1,1-diethoxypropane
InChI Key	WKPXMGJOGYEGNW-UHFFFAOYSA-N
Molecular Formula	C₁₁H₂₅O₅P

Diethyl 2,2-diethoxyethylphosphonate, 96%

CAS: 7598-61-0 Molecular Formula: C10H23O5P Molecular Weight (g/mol): 254.263 MDL Number: MFCD00009236 InChI Key: LUQYELQXRPNKRY-UHFFFAOYSA-N Synonym: diethyl 2,2-diethoxyethylphosphonate,diethyl 2,2-diethoxyethyl phosphonate,diethyl2,2-diethoxyethylphosphonate,2,2-diethoxyethylphosphonic acid diethyl ester,phosphonic acid, 2,2-diethoxyethyl-, diethyl ester,2,2-diethoxyethyl diethoxyphosphino-1-one,diethyl phosphonacetaldehyde diethyl acetal,diethylphosphonoacetaldehyde diethylacetal,2-diethoxyphosphoryl-1,1-diethoxy-ethane PubChem CID: 82071 IUPAC Name: 2-diethoxyphosphoryl-1,1-diethoxyethane SMILES: CCOC(CP(=O)(OCC)OCC)OCC

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Specifications

PubChem CID	82071
CAS	7598-61-0
Molecular Weight (g/mol)	254.263
MDL Number	MFCD00009236
SMILES	CCOC(CP(=O)(OCC)OCC)OCC
Synonym	diethyl 2,2-diethoxyethylphosphonate,diethyl 2,2-diethoxyethyl phosphonate,diethyl2,2-diethoxyethylphosphonate,2,2-diethoxyethylphosphonic acid diethyl ester,phosphonic acid, 2,2-diethoxyethyl-, diethyl ester,2,2-diethoxyethyl diethoxyphosphino-1-one,diethyl phosphonacetaldehyde diethyl acetal,diethylphosphonoacetaldehyde diethylacetal,2-diethoxyphosphoryl-1,1-diethoxy-ethane
IUPAC Name	2-diethoxyphosphoryl-1,1-diethoxyethane
InChI Key	LUQYELQXRPNKRY-UHFFFAOYSA-N
Molecular Formula	C10H23O5P

Tetraethyl ethylenediphosphonate, 98%

CAS: 995-32-4 Molecular Formula: C10H24O6P2 Molecular Weight (g/mol): 302.24 MDL Number: MFCD00015133 InChI Key: RSQYXXACEZCDFS-UHFFFAOYSA-N Synonym: tetraethyl ethylenediphosphonate,tetraethyl ethylenebisphosphonate,ethylenediphosphonic acid tetraethyl ester,tetraethyl ethane-1,2-diylbis phosphonate,1,2-bis diethoxyphosphoryl ethane,1,2-bis diethyl-phosphonato ethane,phosphonic acid, 1,2-ethanediylbis-, tetraethyl ester,diethyl 2-diethoxyphosphoryl ethylphosphonate,phosphonic acid, ethylenedi-, tetraethyl ester,acmc-209scy PubChem CID: 70446 IUPAC Name: 1,2-bis(diethoxyphosphoryl)ethane SMILES: CCOP(=O)(CCP(=O)(OCC)OCC)OCC

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Specifications

PubChem CID	70446
CAS	995-32-4
Molecular Weight (g/mol)	302.24
MDL Number	MFCD00015133
SMILES	CCOP(=O)(CCP(=O)(OCC)OCC)OCC
Synonym	tetraethyl ethylenediphosphonate,tetraethyl ethylenebisphosphonate,ethylenediphosphonic acid tetraethyl ester,tetraethyl ethane-1,2-diylbis phosphonate,1,2-bis diethoxyphosphoryl ethane,1,2-bis diethyl-phosphonato ethane,phosphonic acid, 1,2-ethanediylbis-, tetraethyl ester,diethyl 2-diethoxyphosphoryl ethylphosphonate,phosphonic acid, ethylenedi-, tetraethyl ester,acmc-209scy
IUPAC Name	1,2-bis(diethoxyphosphoryl)ethane
InChI Key	RSQYXXACEZCDFS-UHFFFAOYSA-N
Molecular Formula	C10H24O6P2

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

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Specifications

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

Diethyl 2-thienylmethylphosphonate, 95%

CAS: 2026-42-8 Molecular Formula: C9H15O3PS Molecular Weight (g/mol): 234.25 MDL Number: MFCD00128457 InChI Key: GOJBUVQDOFHBLF-UHFFFAOYSA-N Synonym: diethyl thiophen-2-ylmethyl phosphonate,diethyl 2-thienylmethyl phosphonate,thiophen-2-ylmethyl-phosphonic acid diethyl ester,diethyl 2-thienylmethylphosphonate,2-diethoxyphosphorylmethyl thiophene,phosphonic acid, 2-thienylmethyl-, diethyl ester,diethyl thiophen-2-ylmethylphosphonate,ksc207o5j,2-diethoxyphosphinylmethyl thiophene PubChem CID: 4185897 IUPAC Name: 2-(diethoxyphosphorylmethyl)thiophene SMILES: CCOP(=O)(CC1=CC=CS1)OCC

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Specifications

PubChem CID	4185897
CAS	2026-42-8
Molecular Weight (g/mol)	234.25
MDL Number	MFCD00128457
SMILES	CCOP(=O)(CC1=CC=CS1)OCC
Synonym	diethyl thiophen-2-ylmethyl phosphonate,diethyl 2-thienylmethyl phosphonate,thiophen-2-ylmethyl-phosphonic acid diethyl ester,diethyl 2-thienylmethylphosphonate,2-diethoxyphosphorylmethyl thiophene,phosphonic acid, 2-thienylmethyl-, diethyl ester,diethyl thiophen-2-ylmethylphosphonate,ksc207o5j,2-diethoxyphosphinylmethyl thiophene
IUPAC Name	2-(diethoxyphosphorylmethyl)thiophene
InChI Key	GOJBUVQDOFHBLF-UHFFFAOYSA-N
Molecular Formula	C9H15O3PS

Organic phosphonic acids and derivatives

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