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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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: 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

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

11-Hydroxyundecylphosphonic acid, 95%

CAS: 83905-98-0 Molecular Formula: C11H25O4P Molecular Weight (g/mol): 252.291 MDL Number: MFCD11982869 InChI Key: PPCDEFQVKBXBPS-UHFFFAOYSA-N Synonym: 11-hydroxyundecyl phosphonic acid,11-hydroxyundecyl-1-phosphonic acid,11-hydroxyundecylphosphonic acid,phosphonic acid, 11-hydroxyundecyl,11-hydroxyundecylphosphonic acid gc PubChem CID: 45158971 IUPAC Name: 11-hydroxyundecylphosphonic acid SMILES: C(CCCCCO)CCCCCP(=O)(O)O

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Specifications

PubChem CID	45158971
CAS	83905-98-0
Molecular Weight (g/mol)	252.291
MDL Number	MFCD11982869
SMILES	C(CCCCCO)CCCCCP(=O)(O)O
Synonym	11-hydroxyundecyl phosphonic acid,11-hydroxyundecyl-1-phosphonic acid,11-hydroxyundecylphosphonic acid,phosphonic acid, 11-hydroxyundecyl,11-hydroxyundecylphosphonic acid gc
IUPAC Name	11-hydroxyundecylphosphonic acid
InChI Key	PPCDEFQVKBXBPS-UHFFFAOYSA-N
Molecular Formula	C11H25O4P

Diethyl (2-aminoethyl)phosphonate oxalate, 97%

CAS: 203192-98-7 Molecular Formula: C6H17NO3P Molecular Weight (g/mol): 182.18 MDL Number: MFCD00800256 InChI Key: JUAGHBASZWRMQH-UHFFFAOYSA-O Synonym: diethyl 2-aminoethyl phosphonate oxalate,diethyl aminoethyl phosphonate oxalate,2-diethoxyphosphoryl ethylamine oxalate,2-diethoxyphosphorylethanamine; oxalic acid,oxalic acid diethyl 2-aminoethylphosphonate,diethyl 2-aminoethyl phosphonate oxalate salt,diethyl 2-aminoethyl phosphonate ethanedioate,aminoethylphosphonic acid diethylester oxalate salt PubChem CID: 2733595 IUPAC Name: 2-diethoxyphosphorylethanamine;oxalic acid SMILES: CCOP(=O)(CC[NH3+])OCC

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Specifications

PubChem CID	2733595
CAS	203192-98-7
Molecular Weight (g/mol)	182.18
MDL Number	MFCD00800256
SMILES	CCOP(=O)(CC[NH3+])OCC
Synonym	diethyl 2-aminoethyl phosphonate oxalate,diethyl aminoethyl phosphonate oxalate,2-diethoxyphosphoryl ethylamine oxalate,2-diethoxyphosphorylethanamine; oxalic acid,oxalic acid diethyl 2-aminoethylphosphonate,diethyl 2-aminoethyl phosphonate oxalate salt,diethyl 2-aminoethyl phosphonate ethanedioate,aminoethylphosphonic acid diethylester oxalate salt
IUPAC Name	2-diethoxyphosphorylethanamine;oxalic acid
InChI Key	JUAGHBASZWRMQH-UHFFFAOYSA-O
Molecular Formula	C6H17NO3P

Diethyl 1-naphthylmethylphosphonate, 90+%

CAS: 53575-08-9 Molecular Formula: C15H19O3P Molecular Weight (g/mol): 278.288 MDL Number: MFCD00015769 InChI Key: AFNZPMQIKMSUTD-UHFFFAOYSA-N Synonym: diethyl 1-naphthylmethylphosphonate,1-naphthylmethyl phosphonic acid diethyl ester,diethyl naphthalen-1-ylmethyl phosphonate,diethyl 1-naphthylmethyl phosphonate,phosphonic acid, 1-naphthalenylmethyl-, diethyl ester,diethyl naphthalen-1-ylmethylphosphonate,phosphonic acid, 1-naphthylmethyl-, diethyl ester,1-diethoxyphosphorylmethyl naphthalene,acmc-1aoev PubChem CID: 101271 IUPAC Name: 1-(diethoxyphosphorylmethyl)naphthalene SMILES: CCOP(=O)(CC1=CC=CC2=CC=CC=C21)OCC

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Specifications

PubChem CID	101271
CAS	53575-08-9
Molecular Weight (g/mol)	278.288
MDL Number	MFCD00015769
SMILES	CCOP(=O)(CC1=CC=CC2=CC=CC=C21)OCC
Synonym	diethyl 1-naphthylmethylphosphonate,1-naphthylmethyl phosphonic acid diethyl ester,diethyl naphthalen-1-ylmethyl phosphonate,diethyl 1-naphthylmethyl phosphonate,phosphonic acid, 1-naphthalenylmethyl-, diethyl ester,diethyl naphthalen-1-ylmethylphosphonate,phosphonic acid, 1-naphthylmethyl-, diethyl ester,1-diethoxyphosphorylmethyl naphthalene,acmc-1aoev
IUPAC Name	1-(diethoxyphosphorylmethyl)naphthalene
InChI Key	AFNZPMQIKMSUTD-UHFFFAOYSA-N
Molecular Formula	C15H19O3P

Diethyl (bromodifluoromethyl)phosphonate, 97%

CAS: 65094-22-6 Molecular Formula: C5H10BrF2O3P Molecular Weight (g/mol): 267.01 MDL Number: MFCD00069118 InChI Key: QRADKVYIJIAENZ-UHFFFAOYSA-N Synonym: diethyl bromodifluoromethyl phosphonate,bromodifluoromethyl diethylphosphonate,diethyl bromodifluoromethanephosphonate,diethyl bromodifluoromethylphosphonate,bromodifluoromethyl phosphonic acid diethyl ester,1-bromo difluoro methyl-ethoxyphosphoryl oxyethane,phosphonic acid, bromodifluoromethyl-, diethyl ester,pubchem24183,acmc-20ai7p PubChem CID: 144101 IUPAC Name: 1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane SMILES: CCOP(=O)(OCC)C(F)(F)Br

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Specifications

PubChem CID	144101
CAS	65094-22-6
Molecular Weight (g/mol)	267.01
MDL Number	MFCD00069118
SMILES	CCOP(=O)(OCC)C(F)(F)Br
Synonym	diethyl bromodifluoromethyl phosphonate,bromodifluoromethyl diethylphosphonate,diethyl bromodifluoromethanephosphonate,diethyl bromodifluoromethylphosphonate,bromodifluoromethyl phosphonic acid diethyl ester,1-bromo difluoro methyl-ethoxyphosphoryl oxyethane,phosphonic acid, bromodifluoromethyl-, diethyl ester,pubchem24183,acmc-20ai7p
IUPAC Name	1-[[bromo(difluoro)methyl]-ethoxyphosphoryl]oxyethane
InChI Key	QRADKVYIJIAENZ-UHFFFAOYSA-N
Molecular Formula	C5H10BrF2O3P

1-Octylphosphonic acid, 99%

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

Organic phosphonic acids and derivatives

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