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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Dimethyl methylphosphonate, 97%, Thermo Scientific Chemicals

CAS: 756-79-6 Molecular Formula: C3H9O3P Molecular Weight (g/mol): 124.08 MDL Number: MFCD00008349 InChI Key: VONWDASPFIQPDY-UHFFFAOYSA-N Synonym: dimethyl methylphosphonate,dimethylmethylphosphonate,pyrol dmmp,dmmp,dimethyl methanephosphonate,fyrol dmmp,phosphonic acid, methyl-, dimethyl ester,methanephosphonic acid dimethyl ester,dimethoxymethylphosphine oxide,methylphosphonic acid dimethyl ester PubChem CID: 12958 IUPAC Name: [methoxy(methyl)phosphoryl]oxymethane SMILES: COP(C)(=O)OC

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PubChem CID	12958
CAS	756-79-6
Molecular Weight (g/mol)	124.08
MDL Number	MFCD00008349
SMILES	COP(C)(=O)OC
Synonym	dimethyl methylphosphonate,dimethylmethylphosphonate,pyrol dmmp,dmmp,dimethyl methanephosphonate,fyrol dmmp,phosphonic acid, methyl-, dimethyl ester,methanephosphonic acid dimethyl ester,dimethoxymethylphosphine oxide,methylphosphonic acid dimethyl ester
IUPAC Name	[methoxy(methyl)phosphoryl]oxymethane
InChI Key	VONWDASPFIQPDY-UHFFFAOYSA-N
Molecular Formula	C3H9O3P

(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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Specifications

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

Diethyl vinylphosphonate, 97%

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 IUPAC Name: 1-[ethenyl(ethoxy)phosphoryl]oxyethane 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
IUPAC Name	1-[ethenyl(ethoxy)phosphoryl]oxyethane
InChI Key	DREPONDJUKIQLX-UHFFFAOYSA-N
Molecular Formula	C6H13O3P

n-Octadecylphosphonic acid, 97%

CAS: 4724-47-4 Molecular Formula: C18H39O3P Molecular Weight (g/mol): 334.481 MDL Number: MFCD00015838 InChI Key: FTMKAMVLFVRZQX-UHFFFAOYSA-N Synonym: n-octadecylphosphonic acid,phosphonic acid, octadecyl,phosphonic acid, p-octadecyl,n-octadecylphosphonicacid,octadecanephosphonic acid,octadecyl phosphonic acid,octadecyl-phosphonic acid,acmc-209k8h,ksc492m8n,octadecylphosphonic acid PubChem CID: 78451 IUPAC Name: octadecylphosphonic acid SMILES: CCCCCCCCCCCCCCCCCCP(=O)(O)O

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PubChem CID	78451
CAS	4724-47-4
Molecular Weight (g/mol)	334.481
MDL Number	MFCD00015838
SMILES	CCCCCCCCCCCCCCCCCCP(=O)(O)O
Synonym	n-octadecylphosphonic acid,phosphonic acid, octadecyl,phosphonic acid, p-octadecyl,n-octadecylphosphonicacid,octadecanephosphonic acid,octadecyl phosphonic acid,octadecyl-phosphonic acid,acmc-209k8h,ksc492m8n,octadecylphosphonic acid
IUPAC Name	octadecylphosphonic acid
InChI Key	FTMKAMVLFVRZQX-UHFFFAOYSA-N
Molecular Formula	C18H39O3P

(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

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

Methylphosphonic acid, 98%, Thermo Scientific Chemicals

CAS: 993-13-5 Molecular Formula: CH5O3P Molecular Weight (g/mol): 96.02 MDL Number: MFCD00002137 InChI Key: YACKEPLHDIMKIO-UHFFFAOYSA-N Synonym: methanephosphonic acid,phosphonic acid, methyl,methyl phosphonic acid,unii-329w4ym10z,phosphonomethyl group,ester group,phosphonomethyl,acmc-20ake9,d02fxw,methylphosphonic acid PubChem CID: 13818 ChEBI: CHEBI:45129 IUPAC Name: methylphosphonic acid SMILES: CP(O)(O)=O

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PubChem CID	13818
CAS	993-13-5
Molecular Weight (g/mol)	96.02
ChEBI	CHEBI:45129
MDL Number	MFCD00002137
SMILES	CP(O)(O)=O
Synonym	methanephosphonic acid,phosphonic acid, methyl,methyl phosphonic acid,unii-329w4ym10z,phosphonomethyl group,ester group,phosphonomethyl,acmc-20ake9,d02fxw,methylphosphonic acid
IUPAC Name	methylphosphonic acid
InChI Key	YACKEPLHDIMKIO-UHFFFAOYSA-N
Molecular Formula	CH5O3P

1-Hydroxyethylidenebis(phosphonic acid), 96%

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

(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

1-Octylphosphonic acid, 98%

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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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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