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%

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

Benzylphosphonic acid, 97%

CAS: 6881-57-8 Molecular Formula: C7H7O3P Molecular Weight (g/mol): 170.11 MDL Number: MFCD00039519 InChI Key: OGBVRMYSNSKIEF-UHFFFAOYSA-L Synonym: benzyl-phosphonic acid,phosphonic acid, phenylmethyl,phenylmethylphosphonic acid,phosphonic acid, p-phenylmethyl,phenyl-methanephosphonic acid anion,acmc-1b2tf,phenylmethanephosphonic acid,alpha-toluenephosphonic acid,benzylphosphonic acid,bmk1-h2 PubChem CID: 81312 IUPAC Name: benzylphosphonic acid SMILES: [O-]P([O-])(=O)CC1=CC=CC=C1

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PubChem CID	81312
CAS	6881-57-8
Molecular Weight (g/mol)	170.11
MDL Number	MFCD00039519
SMILES	[O-]P([O-])(=O)CC1=CC=CC=C1
Synonym	benzyl-phosphonic acid,phosphonic acid, phenylmethyl,phenylmethylphosphonic acid,phosphonic acid, p-phenylmethyl,phenyl-methanephosphonic acid anion,acmc-1b2tf,phenylmethanephosphonic acid,alpha-toluenephosphonic acid,benzylphosphonic acid,bmk1-h2
IUPAC Name	benzylphosphonic acid
InChI Key	OGBVRMYSNSKIEF-UHFFFAOYSA-L
Molecular Formula	C7H7O3P

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

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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

(Aminomethyl)phosphonic acid, 99%, Thermo Scientific Chemicals

CAS: 1066-51-9 Molecular Formula: CH₆NO₃P Molecular Weight (g/mol): 111.04 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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Specifications

PubChem CID	14017
CAS	1066-51-9
Molecular Weight (g/mol)	111.04
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

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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Specifications

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

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

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Specifications

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

Phenylphosphonic acid, 98%, Thermo Scientific Chemicals

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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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Specifications

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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Specifications

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

(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

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-]

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Specifications

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

(Hydroxy-2-naphthylmethyl)phosphonic acid, 98%, Thermo Scientific Chemicals

CAS: 132541-52-7 Molecular Formula: C11H11O4P Molecular Weight (g/mol): 238.179 MDL Number: MFCD00674174 InChI Key: AMJJLDJPDLKNJA-UHFFFAOYSA-N Synonym: hnmpa,hydroxy-2-naphthalenylmethyl phosphonic acid,hydroxy 2-naphthyl methanephosphonic acid,hydroxy naphthalen-2-yl methylphosphonic acid,hydroxy naphthalen-2-yl methyl phosphonic acid,phosphonic acid, p-hydroxy-2-naphthalenylmethyl,oh-name-pa,acmc-1cglf,biomolki_000021,biomolki2_000010 PubChem CID: 129317 IUPAC Name: [hydroxy(naphthalen-2-yl)methyl]phosphonic acid SMILES: C1=CC=C2C=C(C=CC2=C1)C(O)P(=O)(O)O

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Specifications

PubChem CID	129317
CAS	132541-52-7
Molecular Weight (g/mol)	238.179
MDL Number	MFCD00674174
SMILES	C1=CC=C2C=C(C=CC2=C1)C(O)P(=O)(O)O
Synonym	hnmpa,hydroxy-2-naphthalenylmethyl phosphonic acid,hydroxy 2-naphthyl methanephosphonic acid,hydroxy naphthalen-2-yl methylphosphonic acid,hydroxy naphthalen-2-yl methyl phosphonic acid,phosphonic acid, p-hydroxy-2-naphthalenylmethyl,oh-name-pa,acmc-1cglf,biomolki_000021,biomolki2_000010
IUPAC Name	[hydroxy(naphthalen-2-yl)methyl]phosphonic acid
InChI Key	AMJJLDJPDLKNJA-UHFFFAOYSA-N
Molecular Formula	C11H11O4P

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

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Specifications

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

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

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Specifications

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

Organic phosphonic acids and derivatives

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