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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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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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

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

Diethyl 1-tetradecylphosphonate, 97+%

CAS: 5191-09-3 MDL Number: MFCD00015597 InChI Key: CPWIYYOBPHXJIA-UHFFFAOYSA-N PubChem CID: 640154 SMILES: CCCCCCCCCCCCCCP(=O)(OCC)OCC

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Specifications

PubChem CID	640154
CAS	5191-09-3
MDL Number	MFCD00015597
SMILES	CCCCCCCCCCCCCCP(=O)(OCC)OCC
InChI Key	CPWIYYOBPHXJIA-UHFFFAOYSA-N

Thermo Scientific Chemicals Benzyl dimethyl phosphonoacetate, 98%

CAS: 57443-18-2 Molecular Formula: C₁₁H₁₅O₅P Molecular Weight (g/mol): 258.21 MDL Number: MFCD01872507 InChI Key: QYLGNJMIOVHLQQ-UHFFFAOYSA-N Synonym: benzyl dimethylphosphonoacetate,benzyl 2-dimethoxyphosphoryl acetate,benzyl dimethyl phosphonoacetate,dimethyl benzyloxycarbonyl methyl phosphonate,acetic acid, dimethoxyphosphinyl-, phenylmethyl ester,acmc-209ly9,benzyl dimethylphosphonoethanoate,dimethyl cbz-methyl phosphonate,benzyl dimethoxyphosphoryl acetate,benzyl-2-dimethoxyphosphoryl acetate PubChem CID: 2773759 IUPAC Name: benzyl 2-dimethoxyphosphorylacetate SMILES: COP(=O)(CC(=O)OCC1=CC=CC=C1)OC

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PubChem CID	2773759
CAS	57443-18-2
Molecular Weight (g/mol)	258.21
MDL Number	MFCD01872507
SMILES	COP(=O)(CC(=O)OCC1=CC=CC=C1)OC
Synonym	benzyl dimethylphosphonoacetate,benzyl 2-dimethoxyphosphoryl acetate,benzyl dimethyl phosphonoacetate,dimethyl benzyloxycarbonyl methyl phosphonate,acetic acid, dimethoxyphosphinyl-, phenylmethyl ester,acmc-209ly9,benzyl dimethylphosphonoethanoate,dimethyl cbz-methyl phosphonate,benzyl dimethoxyphosphoryl acetate,benzyl-2-dimethoxyphosphoryl acetate
IUPAC Name	benzyl 2-dimethoxyphosphorylacetate
InChI Key	QYLGNJMIOVHLQQ-UHFFFAOYSA-N
Molecular Formula	C₁₁H₁₅O₅P

Diethyl n-dodecylphosphonate, ≥97%, Thermo Scientific Chemicals

CAS: 4844-38-6 Molecular Formula: C16H35O3P Molecular Weight (g/mol): 306.427 MDL Number: MFCD00015595 InChI Key: LRIWHHSVZCKNJL-UHFFFAOYSA-N Synonym: diethyl dodecylphosphonate,phosphonic acid, dodecyl-, diethyl ester,diethyl 1-dodecyl phosphonate,phosphonic acid, p-dodecyl-, diethyl ester,dodecylphosphonic acid diethyl ester,phosphonic acid,p-dodecyl-, diethyl ester PubChem CID: 78558 IUPAC Name: 1-diethoxyphosphoryldodecane SMILES: CCCCCCCCCCCCP(=O)(OCC)OCC

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Specifications

PubChem CID	78558
CAS	4844-38-6
Molecular Weight (g/mol)	306.427
MDL Number	MFCD00015595
SMILES	CCCCCCCCCCCCP(=O)(OCC)OCC
Synonym	diethyl dodecylphosphonate,phosphonic acid, dodecyl-, diethyl ester,diethyl 1-dodecyl phosphonate,phosphonic acid, p-dodecyl-, diethyl ester,dodecylphosphonic acid diethyl ester,phosphonic acid,p-dodecyl-, diethyl ester
IUPAC Name	1-diethoxyphosphoryldodecane
InChI Key	LRIWHHSVZCKNJL-UHFFFAOYSA-N
Molecular Formula	C16H35O3P

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 (phthalimidomethyl)phosphonate, 97%

CAS: 33512-26-4 Molecular Formula: C13H16NO5P Molecular Weight (g/mol): 297.247 MDL Number: MFCD00134313 InChI Key: IUZMHUAHKBHJFY-UHFFFAOYSA-N Synonym: diethyl phthalimidomethyl phosphonate,diethyl 1,3-dioxoisoindolin-2-yl methyl phosphonate,phthalimidomethyl phosphonic acid diethyl ester,diethyl 1,3-dioxoisoindol-2-yl methylphosphonate,2-diethoxycarbonyl methyl benzo c azoline-1,3-dione,acmc-1cp9b,diethyl phthalimidomethylphosphonate,n-diethoxyphosphoryl methyl phthalimide PubChem CID: 1924456 IUPAC Name: 2-(diethoxyphosphorylmethyl)isoindole-1,3-dione SMILES: CCOP(=O)(CN1C(=O)C2=CC=CC=C2C1=O)OCC

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Specifications

PubChem CID	1924456
CAS	33512-26-4
Molecular Weight (g/mol)	297.247
MDL Number	MFCD00134313
SMILES	CCOP(=O)(CN1C(=O)C2=CC=CC=C2C1=O)OCC
Synonym	diethyl phthalimidomethyl phosphonate,diethyl 1,3-dioxoisoindolin-2-yl methyl phosphonate,phthalimidomethyl phosphonic acid diethyl ester,diethyl 1,3-dioxoisoindol-2-yl methylphosphonate,2-diethoxycarbonyl methyl benzo c azoline-1,3-dione,acmc-1cp9b,diethyl phthalimidomethylphosphonate,n-diethoxyphosphoryl methyl phthalimide
IUPAC Name	2-(diethoxyphosphorylmethyl)isoindole-1,3-dione
InChI Key	IUZMHUAHKBHJFY-UHFFFAOYSA-N
Molecular Formula	C13H16NO5P

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

Diisopropyl cyanomethylphosphonate, 97%

CAS: 21658-95-7 Molecular Formula: C8H16NO3P Molecular Weight (g/mol): 205.194 MDL Number: MFCD00009812 InChI Key: MQDIIJHQSUNBKA-UHFFFAOYSA-N Synonym: diisopropyl cyanomethyl phosphonate,diisopropyl cyanomethylphosphonate,diisopropyl cyanomethylphosphonate,,acmc-20al7r,diisopropoxyphosphinylacetonitrile,2-di propan-2-yloxy phosphorylacetonitrile,diisopropyl cyanomethylphosphonate 5g,phosphonic acid,p-cyanomethyl-, bis 1-methylethyl ester PubChem CID: 88997 IUPAC Name: 2-di(propan-2-yloxy)phosphorylacetonitrile SMILES: CC(C)OP(=O)(CC#N)OC(C)C

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Specifications

PubChem CID	88997
CAS	21658-95-7
Molecular Weight (g/mol)	205.194
MDL Number	MFCD00009812
SMILES	CC(C)OP(=O)(CC#N)OC(C)C
Synonym	diisopropyl cyanomethyl phosphonate,diisopropyl cyanomethylphosphonate,diisopropyl cyanomethylphosphonate,,acmc-20al7r,diisopropoxyphosphinylacetonitrile,2-di propan-2-yloxy phosphorylacetonitrile,diisopropyl cyanomethylphosphonate 5g,phosphonic acid,p-cyanomethyl-, bis 1-methylethyl ester
IUPAC Name	2-di(propan-2-yloxy)phosphorylacetonitrile
InChI Key	MQDIIJHQSUNBKA-UHFFFAOYSA-N
Molecular Formula	C8H16NO3P

Thermo Scientific Chemicals Diethyl (aminomethyl)phosphonate oxalate, 95%

CAS: 117196-73-3 Molecular Formula: C₅H₁₄NO₃P·C₂H₂O₄ Molecular Weight (g/mol): 257.18 MDL Number: MFCD00800255 InChI Key: OVHZWLGNOJBTDI-UHFFFAOYSA-N Synonym: diethyl aminomethyl phosphonate oxalate,diethoxyphosphorylmethanamine; oxalic acid,diethyl aminomethyl phosphonate oxalate salt,phosphonic acid, p-aminomethyl-, diethyl ester, ethanedioate 1:1,phosphonic acid, aminomethyl-, diethyl ester, ethanedioate 1:1,acmc-20mn2b,diethyl aminomethylphosphonate oxalate,oxalic acid diethyl aminomethylphosphonate,diethyl aminomethyl phosphonate ethanedioate PubChem CID: 2733594 IUPAC Name: diethoxyphosphorylmethanamine;oxalic acid SMILES: CCOP(=O)(CN)OCC.C(=O)(C(=O)O)O

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Specifications

PubChem CID	2733594
CAS	117196-73-3
Molecular Weight (g/mol)	257.18
MDL Number	MFCD00800255
SMILES	CCOP(=O)(CN)OCC.C(=O)(C(=O)O)O
Synonym	diethyl aminomethyl phosphonate oxalate,diethoxyphosphorylmethanamine; oxalic acid,diethyl aminomethyl phosphonate oxalate salt,phosphonic acid, p-aminomethyl-, diethyl ester, ethanedioate 1:1,phosphonic acid, aminomethyl-, diethyl ester, ethanedioate 1:1,acmc-20mn2b,diethyl aminomethylphosphonate oxalate,oxalic acid diethyl aminomethylphosphonate,diethyl aminomethyl phosphonate ethanedioate
IUPAC Name	diethoxyphosphorylmethanamine;oxalic acid
InChI Key	OVHZWLGNOJBTDI-UHFFFAOYSA-N
Molecular Formula	C₅H₁₄NO₃P·C₂H₂O₄

Diethyl 1-decylphosphonate, 97%

CAS: 16165-68-7 Molecular Formula: C14H31O3P Molecular Weight (g/mol): 278.373 MDL Number: MFCD00015593 InChI Key: HYQXIVAZQBYBAF-UHFFFAOYSA-N Synonym: diethyl 1-decylphosphonate,diethyl decylphosphonate,decylphosphonic acid diethyl ester,decyldiethoxyphosphino-1-one,acmc-20al9l,diethyl n-decanephosphonate,diethyl 1-decanephosphonate,diethyl 1-decyl phosphonate,decyl-phosphonic acid diethyl ester,n-decylphosphonic acid diethyl ester PubChem CID: 2773697 IUPAC Name: 1-diethoxyphosphoryldecane SMILES: CCCCCCCCCCP(=O)(OCC)OCC

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Specifications

PubChem CID	2773697
CAS	16165-68-7
Molecular Weight (g/mol)	278.373
MDL Number	MFCD00015593
SMILES	CCCCCCCCCCP(=O)(OCC)OCC
Synonym	diethyl 1-decylphosphonate,diethyl decylphosphonate,decylphosphonic acid diethyl ester,decyldiethoxyphosphino-1-one,acmc-20al9l,diethyl n-decanephosphonate,diethyl 1-decanephosphonate,diethyl 1-decyl phosphonate,decyl-phosphonic acid diethyl ester,n-decylphosphonic acid diethyl ester
IUPAC Name	1-diethoxyphosphoryldecane
InChI Key	HYQXIVAZQBYBAF-UHFFFAOYSA-N
Molecular Formula	C14H31O3P

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

Triethyl 4-phosphonobutyrate, 97%

CAS: 2327-69-7 Molecular Formula: C10H21O5P Molecular Weight (g/mol): 252.247 MDL Number: MFCD00015168 InChI Key: FYESTJSRASJZOY-UHFFFAOYSA-N PubChem CID: 281201 IUPAC Name: ethyl 4-diethoxyphosphorylbutanoate SMILES: CCOC(=O)CCCP(=O)(OCC)OCC

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Specifications

PubChem CID	281201
CAS	2327-69-7
Molecular Weight (g/mol)	252.247
MDL Number	MFCD00015168
SMILES	CCOC(=O)CCCP(=O)(OCC)OCC
IUPAC Name	ethyl 4-diethoxyphosphorylbutanoate
InChI Key	FYESTJSRASJZOY-UHFFFAOYSA-N
Molecular Formula	C10H21O5P

Propylenediphosphonic acid, 98+%

CAS: 4671-82-3 Molecular Formula: C3H10O6P2 Molecular Weight (g/mol): 204.055 MDL Number: MFCD00050066 InChI Key: DZQCAOQMXPROIJ-UHFFFAOYSA-N Synonym: propylenediphosphonic acid,acmc-20ajta,propylene-bisphosphonic acid,propylenediphosphonicacid,propane-1,2-diylbis phosphonic acid,1-phosphonopropan-2-yl phosphonic acid PubChem CID: 22023450 IUPAC Name: 1-phosphonopropan-2-ylphosphonic acid SMILES: CC(CP(=O)(O)O)P(=O)(O)O

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Specifications

PubChem CID	22023450
CAS	4671-82-3
Molecular Weight (g/mol)	204.055
MDL Number	MFCD00050066
SMILES	CC(CP(=O)(O)O)P(=O)(O)O
Synonym	propylenediphosphonic acid,acmc-20ajta,propylene-bisphosphonic acid,propylenediphosphonicacid,propane-1,2-diylbis phosphonic acid,1-phosphonopropan-2-yl phosphonic acid
IUPAC Name	1-phosphonopropan-2-ylphosphonic acid
InChI Key	DZQCAOQMXPROIJ-UHFFFAOYSA-N
Molecular Formula	C3H10O6P2

Organic phosphonic acids and derivatives

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