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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Trimethyl phosphonoacetate, 98%

CAS: 5927-18-4 Molecular Formula: C5H11O5P Molecular Weight (g/mol): 182.112 MDL Number: MFCD00008452 InChI Key: SIGOIUCRXKUEIG-UHFFFAOYSA-N Synonym: trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate PubChem CID: 80029 IUPAC Name: methyl 2-dimethoxyphosphorylacetate SMILES: COC(=O)CP(=O)(OC)OC

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PubChem CID	80029
CAS	5927-18-4
Molecular Weight (g/mol)	182.112
MDL Number	MFCD00008452
SMILES	COC(=O)CP(=O)(OC)OC
Synonym	trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate
IUPAC Name	methyl 2-dimethoxyphosphorylacetate
InChI Key	SIGOIUCRXKUEIG-UHFFFAOYSA-N
Molecular Formula	C5H11O5P

tert-Butylphosphonic acid, 98%

CAS: 4923-84-6 Molecular Formula: C4H9O3P Molecular Weight (g/mol): 136.09 MDL Number: MFCD00012296 InChI Key: OGDSVONAYZTTDA-UHFFFAOYSA-L Synonym: phosphonic acid, 1,1-dimethylethyl,acmc-20ajka,t-butylphosphonic acid,tert-butylphosphonic acid,2-methylprop-2-ylphosphonic acid,phosphonicacid, 1,1-dimethylethyl PubChem CID: 312546 IUPAC Name: tert-butylphosphonic acid SMILES: CC(C)(C)P([O-])([O-])=O

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PubChem CID	312546
CAS	4923-84-6
Molecular Weight (g/mol)	136.09
MDL Number	MFCD00012296
SMILES	CC(C)(C)P([O-])([O-])=O
Synonym	phosphonic acid, 1,1-dimethylethyl,acmc-20ajka,t-butylphosphonic acid,tert-butylphosphonic acid,2-methylprop-2-ylphosphonic acid,phosphonicacid, 1,1-dimethylethyl
IUPAC Name	tert-butylphosphonic acid
InChI Key	OGDSVONAYZTTDA-UHFFFAOYSA-L
Molecular Formula	C4H9O3P

Diethyl benzylphosphonate, 99%

CAS: 1080-32-6 Molecular Formula: C11H17O3P Molecular Weight (g/mol): 228.228 MDL Number: MFCD00009078 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)	228.228
MDL Number	MFCD00009078
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

Alendronic Acid 98.0+%, TCI America™

CAS: 66376-36-1 Molecular Formula: C4H13NO7P2 Molecular Weight (g/mol): 249.096 MDL Number: MFCD00868112 InChI Key: OGSPWJRAVKPPFI-UHFFFAOYSA-N Synonym: 4-Amino-1-hydroxybutane-1,1-diphosphonic Acid PubChem CID: 2088 ChEBI: CHEBI:2567 IUPAC Name: (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid SMILES: C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN

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PubChem CID	2088
CAS	66376-36-1
Molecular Weight (g/mol)	249.096
ChEBI	CHEBI:2567
MDL Number	MFCD00868112
SMILES	C(CC(O)(P(=O)(O)O)P(=O)(O)O)CN
Synonym	4-Amino-1-hydroxybutane-1,1-diphosphonic Acid
IUPAC Name	(4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid
InChI Key	OGSPWJRAVKPPFI-UHFFFAOYSA-N
Molecular Formula	C4H13NO7P2

Trimethyl phosphonoacetate, 98%

CAS: 5927-18-4 Molecular Formula: C₅H₁₁O₅P Molecular Weight (g/mol): 182.11 InChI Key: SIGOIUCRXKUEIG-UHFFFAOYSA-N Synonym: trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate PubChem CID: 80029 IUPAC Name: methyl 2-dimethoxyphosphorylacetate SMILES: COC(=O)CP(=O)(OC)OC

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PubChem CID	80029
CAS	5927-18-4
Molecular Weight (g/mol)	182.11
SMILES	COC(=O)CP(=O)(OC)OC
Synonym	trimethyl phosphonoacetate,methyl 2-dimethoxyphosphoryl acetate,trimethyl phosphonacetate,trimethylacetyl phosphate,acetic acid, dimethoxyphosphinyl-, methyl ester,methyl-dimethoxyphosphoryl acetat,trimethyl phosphoroacetate,phosphonoacetic acid trimethyl ester,methyl dimethylphosphonoacetate,methyl dimethoxyphosphoryl acetate
IUPAC Name	methyl 2-dimethoxyphosphorylacetate
InChI Key	SIGOIUCRXKUEIG-UHFFFAOYSA-N
Molecular Formula	C₅H₁₁O₅P

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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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

(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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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

Cyclohexyl methyl methylphosphonate, 99%, Thermo Scientific Chemicals

CAS: 7040-52-0 Molecular Formula: C8H17O3P Molecular Weight (g/mol): 192.195 MDL Number: MFCD08064211 InChI Key: UXITUBFQUAHYSL-UHFFFAOYSA-N Synonym: cyclohexyl methyl methylphosphonate,phosphonic acid, methyl-, cyclohexyl methyl ester,cyclohexyl methyl methyl-phosphonate,methoxy methyl phosphoryl oxycyclohexane,methylphosphonic acid methylcyclohexyl ester PubChem CID: 574009 IUPAC Name: [methoxy(methyl)phosphoryl]oxycyclohexane SMILES: COP(=O)(C)OC1CCCCC1

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PubChem CID	574009
CAS	7040-52-0
Molecular Weight (g/mol)	192.195
MDL Number	MFCD08064211
SMILES	COP(=O)(C)OC1CCCCC1
Synonym	cyclohexyl methyl methylphosphonate,phosphonic acid, methyl-, cyclohexyl methyl ester,cyclohexyl methyl methyl-phosphonate,methoxy methyl phosphoryl oxycyclohexane,methylphosphonic acid methylcyclohexyl ester
IUPAC Name	[methoxy(methyl)phosphoryl]oxycyclohexane
InChI Key	UXITUBFQUAHYSL-UHFFFAOYSA-N
Molecular Formula	C8H17O3P

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

1-Butylphosphonic acid, 98%

CAS: 3321-64-0 Molecular Formula: C4H11O3P Molecular Weight (g/mol): 138.10 MDL Number: MFCD00012295 InChI Key: UOKRBSXOBUKDGE-UHFFFAOYSA-N Synonym: n-butylphosphonic acid,1-butanephosphonic acid,butylphosphonate,1-butylphosphonic acid,phosphonic acid, butyl,n-butyl phosphonic acid,acmc-1cr41 PubChem CID: 76839 ChEBI: CHEBI:41384 IUPAC Name: butylphosphonic acid SMILES: CCCCP(O)(O)=O

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PubChem CID	76839
CAS	3321-64-0
Molecular Weight (g/mol)	138.10
ChEBI	CHEBI:41384
MDL Number	MFCD00012295
SMILES	CCCCP(O)(O)=O
Synonym	n-butylphosphonic acid,1-butanephosphonic acid,butylphosphonate,1-butylphosphonic acid,phosphonic acid, butyl,n-butyl phosphonic acid,acmc-1cr41
IUPAC Name	butylphosphonic acid
InChI Key	UOKRBSXOBUKDGE-UHFFFAOYSA-N
Molecular Formula	C4H11O3P

(3-Aminopropyl)phosphonic acid, 97%, Thermo Scientific Chemicals

CAS: 13138-33-5 Molecular Formula: C₃H₁₀NO₃P Molecular Weight (g/mol): 139.09 MDL Number: MFCD00008222 InChI Key: GSZQTIFGANBTNF-UHFFFAOYSA-N Synonym: 3-aminopropyl phosphonic acid,aminopropylphosphonate,3-aminopropylphosphonicacid,unii-vm92t06vpb,3-amino-propyl-phosphonic acid,phosphonic acid, 3-aminopropyl,vm92t06vpb,3-phosphonopropylamine,phosphate analogue, 8,pubchem10325 PubChem CID: 97587 IUPAC Name: 3-aminopropylphosphonic acid SMILES: C(CN)CP(=O)(O)O

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PubChem CID	97587
CAS	13138-33-5
Molecular Weight (g/mol)	139.09
MDL Number	MFCD00008222
SMILES	C(CN)CP(=O)(O)O
Synonym	3-aminopropyl phosphonic acid,aminopropylphosphonate,3-aminopropylphosphonicacid,unii-vm92t06vpb,3-amino-propyl-phosphonic acid,phosphonic acid, 3-aminopropyl,vm92t06vpb,3-phosphonopropylamine,phosphate analogue, 8,pubchem10325
IUPAC Name	3-aminopropylphosphonic acid
InChI Key	GSZQTIFGANBTNF-UHFFFAOYSA-N
Molecular Formula	C₃H₁₀NO₃P

Diethyl methylphosphonate, 97%, Thermo Scientific Chemicals

CAS: 683-08-9 Molecular Formula: C5H13O3P Molecular Weight (g/mol): 152.13 MDL Number: MFCD00009813 InChI Key: NYYLZXREFNYPKB-UHFFFAOYSA-N Synonym: diethyl methylphosphonate,diethyl methanephosphonate,phosphonic acid, methyl-, diethyl ester,demp,1-ethoxy methyl phosphoryl oxyethane,methyl-phosphonicacidiethylester,diethylmethylphosphonate,diethyl methyphosphonate,diethoxymethylphosphine oxide,acmc-1b13h PubChem CID: 12685 IUPAC Name: 1-[ethoxy(methyl)phosphoryl]oxyethane SMILES: CCOP(C)(=O)OCC

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PubChem CID	12685
CAS	683-08-9
Molecular Weight (g/mol)	152.13
MDL Number	MFCD00009813
SMILES	CCOP(C)(=O)OCC
Synonym	diethyl methylphosphonate,diethyl methanephosphonate,phosphonic acid, methyl-, diethyl ester,demp,1-ethoxy methyl phosphoryl oxyethane,methyl-phosphonicacidiethylester,diethylmethylphosphonate,diethyl methyphosphonate,diethoxymethylphosphine oxide,acmc-1b13h
IUPAC Name	1-[ethoxy(methyl)phosphoryl]oxyethane
InChI Key	NYYLZXREFNYPKB-UHFFFAOYSA-N
Molecular Formula	C5H13O3P

Decylphosphonic Acid 98.0+%, TCI America™

CAS: 6874-60-8 Molecular Formula: C10H23O3P Molecular Weight (g/mol): 222.265 MDL Number: MFCD00015830 InChI Key: DZQISOJKASMITI-UHFFFAOYSA-N Synonym: decanephosphonic acid,phosphonic acid, decyl,1-decanephosphonic acid,decyl-phosphonic acid,1-decylphosphonic acid,n-decylphosphonic acid,phosphonic acid, p-decyl,decylphosphonicacid,n-decanephosphonic acid,acmc-1cuhv PubChem CID: 81309 IUPAC Name: decylphosphonic acid SMILES: CCCCCCCCCCP(=O)(O)O

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PubChem CID	81309
CAS	6874-60-8
Molecular Weight (g/mol)	222.265
MDL Number	MFCD00015830
SMILES	CCCCCCCCCCP(=O)(O)O
Synonym	decanephosphonic acid,phosphonic acid, decyl,1-decanephosphonic acid,decyl-phosphonic acid,1-decylphosphonic acid,n-decylphosphonic acid,phosphonic acid, p-decyl,decylphosphonicacid,n-decanephosphonic acid,acmc-1cuhv
IUPAC Name	decylphosphonic acid
InChI Key	DZQISOJKASMITI-UHFFFAOYSA-N
Molecular Formula	C10H23O3P

Diethylvinylphosphonate, 97%, Thermo Scientific Chemicals

CAS: 682-30-4 Molecular Formula: C6H13O3P Molecular Weight (g/mol): 164.14 MDL Number: MFCD00009079 InChI Key: DREPONDJUKIQLX-UHFFFAOYSA-N Synonym: diethyl vinylphosphonate,vinylphosphonic acid diethyl ester,diethyl vinylphosphate,diethoxyphosphinylethene,phosphonic acid, vinyl-, diethyl ester,diethyl ethenylphosphonate,phosphonic acid, ethenyl-, diethyl ester,1-ethenyl ethoxy phosphoryl oxyethane,acmc-1at5g PubChem CID: 69629 SMILES: CCOP(=O)(OCC)C=C

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PubChem CID	69629
CAS	682-30-4
Molecular Weight (g/mol)	164.14
MDL Number	MFCD00009079
SMILES	CCOP(=O)(OCC)C=C
Synonym	diethyl vinylphosphonate,vinylphosphonic acid diethyl ester,diethyl vinylphosphate,diethoxyphosphinylethene,phosphonic acid, vinyl-, diethyl ester,diethyl ethenylphosphonate,phosphonic acid, ethenyl-, diethyl ester,1-ethenyl ethoxy phosphoryl oxyethane,acmc-1at5g
InChI Key	DREPONDJUKIQLX-UHFFFAOYSA-N
Molecular Formula	C6H13O3P

Diethyl phenylthiomethylphosphonate, 96%

CAS: 38066-16-9 Molecular Formula: C11H17O3PS Molecular Weight (g/mol): 260.288 MDL Number: MFCD00015130 InChI Key: FBUXEPJJFVDUFE-UHFFFAOYSA-N Synonym: diethyl phenylthiomethylphosphonate,diethyl phenylthio methyl phosphonate,diethyl phenylsulfanyl methylphosphonate,phosphonic acid, phenylthio methyl-, diethyl ester,diethoxy phenylthiomethyl phosphino-1-one,diethylphenylthiomethylphosphonate,acmc-1bn85,diethyl-phenylthiomethylphosphonate,diethyl methylthiobenzyl phosphonate,diethyl phenylsulfanyl methylphosphonate # PubChem CID: 99227 IUPAC Name: diethoxyphosphorylmethylsulfanylbenzene SMILES: CCOP(=O)(CSC1=CC=CC=C1)OCC

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PubChem CID	99227
CAS	38066-16-9
Molecular Weight (g/mol)	260.288
MDL Number	MFCD00015130
SMILES	CCOP(=O)(CSC1=CC=CC=C1)OCC
Synonym	diethyl phenylthiomethylphosphonate,diethyl phenylthio methyl phosphonate,diethyl phenylsulfanyl methylphosphonate,phosphonic acid, phenylthio methyl-, diethyl ester,diethoxy phenylthiomethyl phosphino-1-one,diethylphenylthiomethylphosphonate,acmc-1bn85,diethyl-phenylthiomethylphosphonate,diethyl methylthiobenzyl phosphonate,diethyl phenylsulfanyl methylphosphonate #
IUPAC Name	diethoxyphosphorylmethylsulfanylbenzene
InChI Key	FBUXEPJJFVDUFE-UHFFFAOYSA-N
Molecular Formula	C11H17O3PS

Organic phosphonic acids and derivatives

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