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

Diethyl benzylphosphonate, 99%

CAS: 1080-32-6 Molecular Formula: C₁₁H₁₇O₃P Molecular Weight (g/mol): 228.23 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

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PubChem CID	14122
CAS	1080-32-6
Molecular Weight (g/mol)	228.23
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

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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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 (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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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

n-Hexylphosphonic acid

CAS: 4721-24-8 Molecular Formula: C6H15O3P Molecular Weight (g/mol): 166.157 MDL Number: MFCD00013961 InChI Key: GJWAEWLHSDGBGG-UHFFFAOYSA-N Synonym: n-hexylphosphonic acid,phosphonic acid, p-hexyl,hexylphosphonicacid,p-hexyl-phosphonic acid,hexylphosphonic acid PubChem CID: 312552 IUPAC Name: hexylphosphonic acid SMILES: CCCCCCP(=O)(O)O

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PubChem CID	312552
CAS	4721-24-8
Molecular Weight (g/mol)	166.157
MDL Number	MFCD00013961
SMILES	CCCCCCP(=O)(O)O
Synonym	n-hexylphosphonic acid,phosphonic acid, p-hexyl,hexylphosphonicacid,p-hexyl-phosphonic acid,hexylphosphonic acid
IUPAC Name	hexylphosphonic acid
InChI Key	GJWAEWLHSDGBGG-UHFFFAOYSA-N
Molecular Formula	C6H15O3P

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

Tetraethyl (dimethylaminomethylene)diphosphonate, 97%

CAS: 18855-52-2 Molecular Formula: C11H27NO6P2 Molecular Weight (g/mol): 331.286 MDL Number: MFCD00015128 InChI Key: SQDDGOVNJMIFFT-UHFFFAOYSA-N Synonym: tetraethyl dimethylaminomethylenediphosphonate,tetraethyl dimethylaminomethylene diphosphonate,phosphonic acid, dimethylamino methylene bis-, tetraethyl ester,tetraethyl dimethylamino methylene bisphosphonate,acmc-1bs7f,1,1-bis diethoxyphosphoryl-n,n-dimethylmethanamine,dimethylamino methylene bis phosphonic acid diethyl ester,diethyl diethoxyphosphoryl dimethylamino methylphosphonate,diethoxy-phosphoryl-dimethylamino-methyl-phosphonic acid diethyl ester PubChem CID: 86795 IUPAC Name: 1,1-bis(diethoxyphosphoryl)-N,N-dimethylmethanamine SMILES: CCOP(=O)(C(N(C)C)P(=O)(OCC)OCC)OCC

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PubChem CID	86795
CAS	18855-52-2
Molecular Weight (g/mol)	331.286
MDL Number	MFCD00015128
SMILES	CCOP(=O)(C(N(C)C)P(=O)(OCC)OCC)OCC
Synonym	tetraethyl dimethylaminomethylenediphosphonate,tetraethyl dimethylaminomethylene diphosphonate,phosphonic acid, dimethylamino methylene bis-, tetraethyl ester,tetraethyl dimethylamino methylene bisphosphonate,acmc-1bs7f,1,1-bis diethoxyphosphoryl-n,n-dimethylmethanamine,dimethylamino methylene bis phosphonic acid diethyl ester,diethyl diethoxyphosphoryl dimethylamino methylphosphonate,diethoxy-phosphoryl-dimethylamino-methyl-phosphonic acid diethyl ester
IUPAC Name	1,1-bis(diethoxyphosphoryl)-N,N-dimethylmethanamine
InChI Key	SQDDGOVNJMIFFT-UHFFFAOYSA-N
Molecular Formula	C11H27NO6P2

Vinylphosphonic acid, 90%, technical, Thermo Scientific Chemicals

CAS: 1746-03-8 Molecular Formula: C2H3O3P Molecular Weight (g/mol): 106.02 MDL Number: MFCD00043866 InChI Key: ZTWTYVWXUKTLCP-UHFFFAOYSA-L Synonym: vinylphosphonic acid,phosphonic acid, ethenyl-, homopolymer,vinyl-phosphonicaci,ethenephosphonicacid,ethenylphosphonicacid,ethenyl-phosphonicaci,ethylenephosphonicacid,phosphonic acid, p-ethenyl-, homopolymer,acmc-1bvr6,poly vinylphosphonic acid PubChem CID: 168725 IUPAC Name: ethenylphosphonic acid SMILES: [O-]P([O-])(=O)C=C

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PubChem CID	168725
CAS	1746-03-8
Molecular Weight (g/mol)	106.02
MDL Number	MFCD00043866
SMILES	[O-]P([O-])(=O)C=C
Synonym	vinylphosphonic acid,phosphonic acid, ethenyl-, homopolymer,vinyl-phosphonicaci,ethenephosphonicacid,ethenylphosphonicacid,ethenyl-phosphonicaci,ethylenephosphonicacid,phosphonic acid, p-ethenyl-, homopolymer,acmc-1bvr6,poly vinylphosphonic acid
IUPAC Name	ethenylphosphonic acid
InChI Key	ZTWTYVWXUKTLCP-UHFFFAOYSA-L
Molecular Formula	C2H3O3P

Diethyl (chloromethyl)phosphonate, 98%, Thermo Scientific Chemicals

CAS: 3167-63-3 Molecular Formula: C5H12ClO3P Molecular Weight (g/mol): 186.57 MDL Number: MFCD00010189 InChI Key: MZBIWKMCTWJLPT-UHFFFAOYSA-N Synonym: diethyl chloromethyl phosphonate,diethyl chloromethylphosphonate,diethyl chloromethanephosphonate,phosphonic acid, chloromethyl-, diethyl ester,chloromethylphosphonic acid diethyl ester,phosphonic acid, p-chloromethyl-, diethyl ester,chloromethyl phosphonic acid diethyl ester,1-chloromethyl ethoxy phosphoryl oxyethane,acmc-1cq3s PubChem CID: 76633 IUPAC Name: 1-[chloromethyl(ethoxy)phosphoryl]oxyethane SMILES: CCOP(=O)(CCl)OCC

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PubChem CID	76633
CAS	3167-63-3
Molecular Weight (g/mol)	186.57
MDL Number	MFCD00010189
SMILES	CCOP(=O)(CCl)OCC
Synonym	diethyl chloromethyl phosphonate,diethyl chloromethylphosphonate,diethyl chloromethanephosphonate,phosphonic acid, chloromethyl-, diethyl ester,chloromethylphosphonic acid diethyl ester,phosphonic acid, p-chloromethyl-, diethyl ester,chloromethyl phosphonic acid diethyl ester,1-chloromethyl ethoxy phosphoryl oxyethane,acmc-1cq3s
IUPAC Name	1-[chloromethyl(ethoxy)phosphoryl]oxyethane
InChI Key	MZBIWKMCTWJLPT-UHFFFAOYSA-N
Molecular Formula	C5H12ClO3P

Tetramethyl methylenediphosphonate, 98+%

CAS: 16001-93-7 Molecular Formula: C5H14O6P2 Molecular Weight (g/mol): 232.109 MDL Number: MFCD00014884 InChI Key: XAVFZUKFLWOSOS-UHFFFAOYSA-N Synonym: tetramethyl methylenediphosphonate,bis dimethoxyphosphoryl methane,tetramethyl methylenebis phosphonate,phosphonic acid, methylenebis-, tetramethyl ester,acmc-20ajjd,tetramethyl methanebisphosphonate,tetramethyl-methylenediphosphonate,tetramethyl methylenebisphosphonate,methylenebis phosphonic acid dimethyl ester,methylenediphosphonic acid tetramethyl ester PubChem CID: 519206 IUPAC Name: bis(dimethoxyphosphoryl)methane SMILES: COP(=O)(CP(=O)(OC)OC)OC

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PubChem CID	519206
CAS	16001-93-7
Molecular Weight (g/mol)	232.109
MDL Number	MFCD00014884
SMILES	COP(=O)(CP(=O)(OC)OC)OC
Synonym	tetramethyl methylenediphosphonate,bis dimethoxyphosphoryl methane,tetramethyl methylenebis phosphonate,phosphonic acid, methylenebis-, tetramethyl ester,acmc-20ajjd,tetramethyl methanebisphosphonate,tetramethyl-methylenediphosphonate,tetramethyl methylenebisphosphonate,methylenebis phosphonic acid dimethyl ester,methylenediphosphonic acid tetramethyl ester
IUPAC Name	bis(dimethoxyphosphoryl)methane
InChI Key	XAVFZUKFLWOSOS-UHFFFAOYSA-N
Molecular Formula	C5H14O6P2

Dimethyl (2-oxopropyl)phosphonate, 95%

CAS: 4202-14-6 Molecular Formula: C₅H₁₁O₄P Molecular Weight (g/mol): 166.11 MDL Number: MFCD00008769 InChI Key: UOWIYNWMROWVDG-UHFFFAOYSA-N Synonym: dimethyl 2-oxopropyl phosphonate,dimethyl acetylmethylphosphonate,dimethyl 2-oxopropylphosphonate,dimethyl acetonylphosphonate,2-oxopropyl phosphonic acid dimethyl ester,1-dimethoxycarbonyl acetone,acmc-209jmw,dimethoxyphosphoryl acetone PubChem CID: 77872 IUPAC Name: 1-dimethoxyphosphorylpropan-2-one SMILES: CC(=O)CP(=O)(OC)OC

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PubChem CID	77872
CAS	4202-14-6
Molecular Weight (g/mol)	166.11
MDL Number	MFCD00008769
SMILES	CC(=O)CP(=O)(OC)OC
Synonym	dimethyl 2-oxopropyl phosphonate,dimethyl acetylmethylphosphonate,dimethyl 2-oxopropylphosphonate,dimethyl acetonylphosphonate,2-oxopropyl phosphonic acid dimethyl ester,1-dimethoxycarbonyl acetone,acmc-209jmw,dimethoxyphosphoryl acetone
IUPAC Name	1-dimethoxyphosphorylpropan-2-one
InChI Key	UOWIYNWMROWVDG-UHFFFAOYSA-N
Molecular Formula	C₅H₁₁O₄P

Chloromethylphosphonic acid, 98%, Thermo Scientific Chemicals

CAS: 2565-58-4 Molecular Formula: CH4ClO3P Molecular Weight (g/mol): 130.46 MDL Number: MFCD00013955 InChI Key: MOFCYHDQWIZKMY-UHFFFAOYSA-N Synonym: chloromethyl phosphonic acid,phosphonic acid, chloromethyl,chloromethanephosphonic acid,phosphonic acid, p-chloromethyl,monochloromethyl phosphonic acid,chloromethylphosphite,phosphonomethyl chloride,chloromethyl-phosphonicaci,phosphonic acid,p-chloromethyl,chloromethyl phosphonic acid, 98 % PubChem CID: 75723 IUPAC Name: chloromethylphosphonic acid SMILES: OP(O)(=O)CCl

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PubChem CID	75723
CAS	2565-58-4
Molecular Weight (g/mol)	130.46
MDL Number	MFCD00013955
SMILES	OP(O)(=O)CCl
Synonym	chloromethyl phosphonic acid,phosphonic acid, chloromethyl,chloromethanephosphonic acid,phosphonic acid, p-chloromethyl,monochloromethyl phosphonic acid,chloromethylphosphite,phosphonomethyl chloride,chloromethyl-phosphonicaci,phosphonic acid,p-chloromethyl,chloromethyl phosphonic acid, 98 %
IUPAC Name	chloromethylphosphonic acid
InChI Key	MOFCYHDQWIZKMY-UHFFFAOYSA-N
Molecular Formula	CH4ClO3P

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

(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: aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl PubChem CID: 14017 ChEBI: CHEBI:28812 IUPAC Name: aminomethylphosphonic acid SMILES: C(N)P(=O)(O)O

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PubChem CID	14017
CAS	1066-51-9
Molecular Weight (g/mol)	111.037
ChEBI	CHEBI:28812
MDL Number	MFCD00008105
SMILES	C(N)P(=O)(O)O
Synonym	aminomethyl phosphonic acid,aminomethanephosphonic acid,amep,1-aminomethylphosphonic acid,1-aminomethylphosphonate,amino methane phosphoric acid,caswell no. 037c,1-aminomethyl phosphonic acid,phosphonic acid, aminomethyl
IUPAC Name	aminomethylphosphonic acid
InChI Key	MGRVRXRGTBOSHW-UHFFFAOYSA-N
Molecular Formula	CH6NO3P

Methyl diethylphosphonoacetate, 97%

CAS: 1067-74-9 Molecular Formula: C₇H₁₅O₅P Molecular Weight (g/mol): 210.17 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

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Specifications

PubChem CID	66113
CAS	1067-74-9
Molecular Weight (g/mol)	210.17
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

Organic phosphonic acids and derivatives

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