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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181 – 195 of 439 results

181

1,4-Butylenediphosphonic Acid 98.0+%, TCI America™

CAS: 4671-77-6 Molecular Formula: C4H8O6P2 Molecular Weight (g/mol): 214.05 MDL Number: MFCD01631212 InChI Key: JKTORXLUQLQJCM-UHFFFAOYSA-J Synonym: 1,4-butanediphosphonic acid,1,4-butylenediphosphonic acid,1,4-diphosphonobutane,tetramethylene phosphonic acid,butane-1,4-bisphosphonic acid,tetramethylenebisphosphonic acid,butane-1,4-diyldiphosphonic acid PubChem CID: 437082 IUPAC Name: (4-phosphonatobutyl)phosphonate SMILES: [O-]P([O-])(=O)CCCCP([O-])([O-])=O

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PubChem CID	437082
CAS	4671-77-6
Molecular Weight (g/mol)	214.05
MDL Number	MFCD01631212
SMILES	[O-]P([O-])(=O)CCCCP([O-])([O-])=O
Synonym	1,4-butanediphosphonic acid,1,4-butylenediphosphonic acid,1,4-diphosphonobutane,tetramethylene phosphonic acid,butane-1,4-bisphosphonic acid,tetramethylenebisphosphonic acid,butane-1,4-diyldiphosphonic acid
IUPAC Name	(4-phosphonatobutyl)phosphonate
InChI Key	JKTORXLUQLQJCM-UHFFFAOYSA-J
Molecular Formula	C4H8O6P2

182

m-Xylylenediphosphonic Acid 97.0+%, TCI America™

CAS: 144052-40-4 Molecular Formula: C8H12O6P2 Molecular Weight (g/mol): 266.126 MDL Number: MFCD22200402 InChI Key: PYWZCUXISXXGMI-UHFFFAOYSA-N PubChem CID: 19352865 IUPAC Name: [3-(phosphonomethyl)phenyl]methylphosphonic acid SMILES: C1=CC(=CC(=C1)CP(=O)(O)O)CP(=O)(O)O

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PubChem CID	19352865
CAS	144052-40-4
Molecular Weight (g/mol)	266.126
MDL Number	MFCD22200402
SMILES	C1=CC(=CC(=C1)CP(=O)(O)O)CP(=O)(O)O
IUPAC Name	[3-(phosphonomethyl)phenyl]methylphosphonic acid
InChI Key	PYWZCUXISXXGMI-UHFFFAOYSA-N
Molecular Formula	C8H12O6P2

183

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

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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

184

3-Phosphonopropionic Acid 98.0+%, TCI America™

CAS: 5962-42-5 Molecular Formula: C3H7O5P Molecular Weight (g/mol): 154.058 MDL Number: MFCD00002770 InChI Key: NLBSQHGCGGFVJW-UHFFFAOYSA-N Synonym: 3-phosphonopropionic acid,propanoic acid, 3-phosphono,2-carboxyethylphosphonic acid,beta-phosphonopropionic acid,1iig,acmc-20amyo,3-phosphopropionic acid,3-phosphono-propanoicaci,3-phosphonoproprionic acid,ambscpod_20/0652 PubChem CID: 1682 IUPAC Name: 3-phosphonopropanoic acid SMILES: C(CP(=O)(O)O)C(=O)O

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PubChem CID	1682
CAS	5962-42-5
Molecular Weight (g/mol)	154.058
MDL Number	MFCD00002770
SMILES	C(CP(=O)(O)O)C(=O)O
Synonym	3-phosphonopropionic acid,propanoic acid, 3-phosphono,2-carboxyethylphosphonic acid,beta-phosphonopropionic acid,1iig,acmc-20amyo,3-phosphopropionic acid,3-phosphono-propanoicaci,3-phosphonoproprionic acid,ambscpod_20/0652
IUPAC Name	3-phosphonopropanoic acid
InChI Key	NLBSQHGCGGFVJW-UHFFFAOYSA-N
Molecular Formula	C3H7O5P

185

Sodium Ibandronate 90.0+%, TCI America™

CAS: 138844-81-2 Molecular Formula: C9H22NNaO7P2 Molecular Weight (g/mol): 341.21 MDL Number: MFCD07197214 InChI Key: LXLBEOAZMZAZND-UHFFFAOYNA-M Synonym: ibandronate sodium,bondronat,boniva,ibandronate sodium salt,sodium ibandronate,1-hydroxy-3-methylpentylamino propylidene bisphosphonic acid sodium,phosphonic acid, 1-hydroxy-3-methylpentylamino propylidene bis-, monosodium salt,sodiumibandronate,ibandronic acid sodium salt PubChem CID: 23670359 IUPAC Name: sodium hydrogen {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonate SMILES: [Na+].CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)([O-])=O

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Specifications

PubChem CID	23670359
CAS	138844-81-2
Molecular Weight (g/mol)	341.21
MDL Number	MFCD07197214
SMILES	[Na+].CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)([O-])=O
Synonym	ibandronate sodium,bondronat,boniva,ibandronate sodium salt,sodium ibandronate,1-hydroxy-3-methylpentylamino propylidene bisphosphonic acid sodium,phosphonic acid, 1-hydroxy-3-methylpentylamino propylidene bis-, monosodium salt,sodiumibandronate,ibandronic acid sodium salt
IUPAC Name	sodium hydrogen {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonate
InChI Key	LXLBEOAZMZAZND-UHFFFAOYNA-M
Molecular Formula	C9H22NNaO7P2

186

Diethyl (N-Methoxy-N-methylcarbamoylmethyl)phosphonate 97.0+%, TCI America™

CAS: 124931-12-0 Molecular Formula: C8H18NO5P Molecular Weight (g/mol): 239.208 MDL Number: MFCD00134233 InChI Key: WYLRYBDGIILFIR-UHFFFAOYSA-N Synonym: (N-Methoxy-N-methylcarbamoylmethyl)phosphonic Acid Diethyl Ester PubChem CID: 2773719 IUPAC Name: 2-diethoxyphosphoryl-N-methoxy-N-methylacetamide SMILES: CCOP(=O)(CC(=O)N(C)OC)OCC

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Specifications

PubChem CID	2773719
CAS	124931-12-0
Molecular Weight (g/mol)	239.208
MDL Number	MFCD00134233
SMILES	CCOP(=O)(CC(=O)N(C)OC)OCC
Synonym	(N-Methoxy-N-methylcarbamoylmethyl)phosphonic Acid Diethyl Ester
IUPAC Name	2-diethoxyphosphoryl-N-methoxy-N-methylacetamide
InChI Key	WYLRYBDGIILFIR-UHFFFAOYSA-N
Molecular Formula	C8H18NO5P

187

Phenylphosphonic Acid Disodium Salt Hydrate 98.0+%, TCI America™

CAS: 25148-85-0 Molecular Formula: C6H5Na2O3P Molecular Weight (g/mol): 202.056 MDL Number: MFCD00058972 InChI Key: JOQAMSDLZYQHMX-UHFFFAOYSA-L Synonym: Benzenephosphonic Acid Disodium Salt PubChem CID: 12499978 IUPAC Name: disodium;dioxido-oxo-phenyl-$l^{5}-phosphane SMILES: C1=CC=C(C=C1)P(=O)([O-])[O-].[Na+].[Na+]

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Specifications

PubChem CID	12499978
CAS	25148-85-0
Molecular Weight (g/mol)	202.056
MDL Number	MFCD00058972
SMILES	C1=CC=C(C=C1)P(=O)([O-])[O-].[Na+].[Na+]
Synonym	Benzenephosphonic Acid Disodium Salt
IUPAC Name	disodium;dioxido-oxo-phenyl-$l^{5}-phosphane
InChI Key	JOQAMSDLZYQHMX-UHFFFAOYSA-L
Molecular Formula	C6H5Na2O3P

188

Diethyl (2-Methylbenzyl)phosphonate 98.0+%, TCI America™

CAS: 62778-16-9 Molecular Formula: C12H19O3P Molecular Weight (g/mol): 242.255 InChI Key: SAVIMLRIKAZZCZ-UHFFFAOYSA-N Synonym: 2-(Diethylphosphonomethyl)toluene, (2-Methylbenzyl)phosphonic Acid Diethyl Ester PubChem CID: 112945 IUPAC Name: 1-(diethoxyphosphorylmethyl)-2-methylbenzene SMILES: CCOP(=O)(CC1=CC=CC=C1C)OCC

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Specifications

PubChem CID	112945
CAS	62778-16-9
Molecular Weight (g/mol)	242.255
SMILES	CCOP(=O)(CC1=CC=CC=C1C)OCC
Synonym	2-(Diethylphosphonomethyl)toluene, (2-Methylbenzyl)phosphonic Acid Diethyl Ester
IUPAC Name	1-(diethoxyphosphorylmethyl)-2-methylbenzene
InChI Key	SAVIMLRIKAZZCZ-UHFFFAOYSA-N
Molecular Formula	C12H19O3P

189

Tetraethyl p-Xylylenediphosphonate 95.0+%, TCI America™

CAS: 4546-04-7 Molecular Formula: C16H28O6P2 Molecular Weight (g/mol): 378.34 MDL Number: MFCD00671576 InChI Key: XTKQUBKFKSHRPS-UHFFFAOYSA-N Synonym: p-Bis(diethylphosphono)xylene, p-Xylylenediphosphonic Acid Tetraethyl Ester PubChem CID: 78303 IUPAC Name: 1,4-bis(diethoxyphosphorylmethyl)benzene SMILES: CCOP(=O)(CC1=CC=C(C=C1)CP(=O)(OCC)OCC)OCC

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Specifications

PubChem CID	78303
CAS	4546-04-7
Molecular Weight (g/mol)	378.34
MDL Number	MFCD00671576
SMILES	CCOP(=O)(CC1=CC=C(C=C1)CP(=O)(OCC)OCC)OCC
Synonym	p-Bis(diethylphosphono)xylene, p-Xylylenediphosphonic Acid Tetraethyl Ester
IUPAC Name	1,4-bis(diethoxyphosphorylmethyl)benzene
InChI Key	XTKQUBKFKSHRPS-UHFFFAOYSA-N
Molecular Formula	C16H28O6P2

190

Diethyl (Methylthiomethyl)phosphonate 97.0+%, TCI America™

CAS: 28460-01-7 Molecular Formula: C6H15O3PS Molecular Weight (g/mol): 198.217 MDL Number: MFCD00015131 InChI Key: RAABCCZMKIIGJW-UHFFFAOYSA-N Synonym: diethyl methylthiomethylphosphonate,diethyl methylthiomethyl phosphonate,diethyl methylthio methyl phosphonate,diethyl methylsulfanyl methylphosphonate,methylthiomethyl phosphonic acid diethyl ester,1-ethoxy methylsulfanylmethyl phosphoryl oxyethane,phosphonic acid, methylthio methyl-, diethyl ester,diethoxy methylthiomethyl phosphino-1-one,pubchem12686 PubChem CID: 520377 IUPAC Name: 1-[ethoxy(methylsulfanylmethyl)phosphoryl]oxyethane SMILES: CCOP(=O)(CSC)OCC

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PubChem CID	520377
CAS	28460-01-7
Molecular Weight (g/mol)	198.217
MDL Number	MFCD00015131
SMILES	CCOP(=O)(CSC)OCC
Synonym	diethyl methylthiomethylphosphonate,diethyl methylthiomethyl phosphonate,diethyl methylthio methyl phosphonate,diethyl methylsulfanyl methylphosphonate,methylthiomethyl phosphonic acid diethyl ester,1-ethoxy methylsulfanylmethyl phosphoryl oxyethane,phosphonic acid, methylthio methyl-, diethyl ester,diethoxy methylthiomethyl phosphino-1-one,pubchem12686
IUPAC Name	1-[ethoxy(methylsulfanylmethyl)phosphoryl]oxyethane
InChI Key	RAABCCZMKIIGJW-UHFFFAOYSA-N
Molecular Formula	C6H15O3PS

191

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

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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

192

Dimethyl (1-Diazo-2-oxopropyl)phosphonate (10% in Acetonitrile), TCI America™

CAS: 90965-06-3 Molecular Formula: C5H9N2O4P Molecular Weight (g/mol): 192.111 MDL Number: MFCD07368360 InChI Key: SQHSJJGGWYIFCD-UHFFFAOYSA-N Synonym: (1-Diazo-2-oxopropyl)phosphonic Acid Dimethyl Ester, Dimethyl 1-Diazoacetonylphosphonate, 1-Diazoacetonylphosphonic Acid Dimethyl Ester, Ohira-Bestmann Reagent PubChem CID: 53397103 IUPAC Name: 1-diazonio-1-dimethoxyphosphorylprop-1-en-2-olate SMILES: CC(=C([N+]#N)P(=O)(OC)OC)[O-]

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PubChem CID	53397103
CAS	90965-06-3
Molecular Weight (g/mol)	192.111
MDL Number	MFCD07368360
SMILES	CC(=C([N+]#N)P(=O)(OC)OC)[O-]
Synonym	(1-Diazo-2-oxopropyl)phosphonic Acid Dimethyl Ester, Dimethyl 1-Diazoacetonylphosphonate, 1-Diazoacetonylphosphonic Acid Dimethyl Ester, Ohira-Bestmann Reagent
IUPAC Name	1-diazonio-1-dimethoxyphosphorylprop-1-en-2-olate
InChI Key	SQHSJJGGWYIFCD-UHFFFAOYSA-N
Molecular Formula	C5H9N2O4P

193

Hexylphosphonic Acid 98.0+%, TCI America™

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

194

Diethyl 1-Pyrrolidinemethylphosphonate 95.0+%, TCI America™

CAS: 51868-96-3 Molecular Formula: C9H21NO3P Molecular Weight (g/mol): 222.24 MDL Number: MFCD00040516 InChI Key: DOMZGECNJWVKAM-UHFFFAOYSA-O Synonym: 1-Pyrrolidinemethylphosphonic Acid Diethyl Ester PubChem CID: 103998 IUPAC Name: 1-[(diethoxyphosphoryl)methyl]pyrrolidin-1-ium SMILES: CCOP(=O)(C[NH+]1CCCC1)OCC

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PubChem CID	103998
CAS	51868-96-3
Molecular Weight (g/mol)	222.24
MDL Number	MFCD00040516
SMILES	CCOP(=O)(C[NH+]1CCCC1)OCC
Synonym	1-Pyrrolidinemethylphosphonic Acid Diethyl Ester
IUPAC Name	1-[(diethoxyphosphoryl)methyl]pyrrolidin-1-ium
InChI Key	DOMZGECNJWVKAM-UHFFFAOYSA-O
Molecular Formula	C9H21NO3P

195

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

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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

Organic phosphonic acids and derivatives

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