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

(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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Specifications

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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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

(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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Specifications

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

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

(Aminomethyl)phosphonic acid, 99%

CAS: 1066-51-9 Molecular Formula: CH6NO3P Molecular Weight (g/mol): 111.037 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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Specifications

PubChem CID	14017
CAS	1066-51-9
Molecular Weight (g/mol)	111.037
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

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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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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

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

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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Specifications

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

Diethyl (3,3-diethoxypropyl)phosphonate, 95%, stabilized with max. 1% w/w Na2CO3

CAS: 15110-17-5 Molecular Formula: C₁₁H₂₅O₅P Molecular Weight (g/mol): 268.29 MDL Number: MFCD00800259 InChI Key: WKPXMGJOGYEGNW-UHFFFAOYSA-N Synonym: diethyl 3,3-diethoxypropyl phosphonate,diethyl 3,3-diethoxypropylphosphonate,phosphonic acid, p-3,3-diethoxypropyl-, diethyl ester,3-diethoxyphosphoryl-1,1-diethoxy-propane,3-diethoxyphosphoryl propanaldehyde diethyl acetal,phosphonic acid,p-3,3-diethoxypropyl-, diethyl ester PubChem CID: 328856 IUPAC Name: 3-diethoxyphosphoryl-1,1-diethoxypropane SMILES: CCOC(CCP(=O)(OCC)OCC)OCC

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Specifications

PubChem CID	328856
CAS	15110-17-5
Molecular Weight (g/mol)	268.29
MDL Number	MFCD00800259
SMILES	CCOC(CCP(=O)(OCC)OCC)OCC
Synonym	diethyl 3,3-diethoxypropyl phosphonate,diethyl 3,3-diethoxypropylphosphonate,phosphonic acid, p-3,3-diethoxypropyl-, diethyl ester,3-diethoxyphosphoryl-1,1-diethoxy-propane,3-diethoxyphosphoryl propanaldehyde diethyl acetal,phosphonic acid,p-3,3-diethoxypropyl-, diethyl ester
IUPAC Name	3-diethoxyphosphoryl-1,1-diethoxypropane
InChI Key	WKPXMGJOGYEGNW-UHFFFAOYSA-N
Molecular Formula	C₁₁H₂₅O₅P

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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Specifications

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

Diethyl (hydroxymethyl)phosphonate, 97%

CAS: 3084-40-0 Molecular Formula: C₅H₁₃O₄P Molecular Weight (g/mol): 168.13 MDL Number: MFCD00014418 InChI Key: RWIGWWBLTJLKMK-UHFFFAOYSA-N Synonym: diethyl hydroxymethyl phosphonate,diethyl hydroxymethylphosphonate,phosphonic acid, hydroxymethyl-, diethyl ester,hydroxymethyl phosphonic acid, diethyl ester,hydroxymethyl phosphonic acid diethyl ester,phosphonic acid, p-hydroxymethyl-, diethyl ester,acmc-1corl,diethoxyphosphoryl-methanol PubChem CID: 76513 IUPAC Name: diethoxyphosphorylmethanol SMILES: CCOP(=O)(CO)OCC

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Specifications

PubChem CID	76513
CAS	3084-40-0
Molecular Weight (g/mol)	168.13
MDL Number	MFCD00014418
SMILES	CCOP(=O)(CO)OCC
Synonym	diethyl hydroxymethyl phosphonate,diethyl hydroxymethylphosphonate,phosphonic acid, hydroxymethyl-, diethyl ester,hydroxymethyl phosphonic acid, diethyl ester,hydroxymethyl phosphonic acid diethyl ester,phosphonic acid, p-hydroxymethyl-, diethyl ester,acmc-1corl,diethoxyphosphoryl-methanol
IUPAC Name	diethoxyphosphorylmethanol
InChI Key	RWIGWWBLTJLKMK-UHFFFAOYSA-N
Molecular Formula	C₅H₁₃O₄P

12-Mercaptododecylphosphonic acid, 95%

CAS: 159239-33-5 Molecular Formula: C12H27O3PS Molecular Weight (g/mol): 282.38 MDL Number: MFCD11046116 InChI Key: PVIUMTORLYKRJT-UHFFFAOYSA-N Synonym: 12-mercaptododecylphosphonic acid,12-sulfanyldodecyl phosphonic acid PubChem CID: 45158994 IUPAC Name: 12-sulfanyldodecylphosphonic acid SMILES: OP(O)(=O)CCCCCCCCCCCCS

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Specifications

PubChem CID	45158994
CAS	159239-33-5
Molecular Weight (g/mol)	282.38
MDL Number	MFCD11046116
SMILES	OP(O)(=O)CCCCCCCCCCCCS
Synonym	12-mercaptododecylphosphonic acid,12-sulfanyldodecyl phosphonic acid
IUPAC Name	12-sulfanyldodecylphosphonic acid
InChI Key	PVIUMTORLYKRJT-UHFFFAOYSA-N
Molecular Formula	C12H27O3PS

Diethyl 2-bromoethylphosphonate, 97%

CAS: 5324-30-1 Molecular Formula: C6H14BrO3P Molecular Weight (g/mol): 245.05 MDL Number: MFCD00000239 InChI Key: PINITSMLVXAASM-UHFFFAOYSA-N Synonym: diethyl 2-bromoethyl phosphonate,diethyl 2-bromoethylphosphonate,phosphonic acid, 2-bromoethyl-, diethyl ester,2-bromoethyl phosphonic acid diethyl ester,o,o-diethyl 2-bromoethyl phosphonate,diethyl bromoethylphosphonate,diethyl-2-bromoethyl-phosphonate,pinitsmlvxaasm-uhfffaoysa,diethyl-2-bromoethyl phosphonate PubChem CID: 79218 IUPAC Name: 1-bromo-2-diethoxyphosphorylethane SMILES: CCOP(=O)(CCBr)OCC

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Specifications

PubChem CID	79218
CAS	5324-30-1
Molecular Weight (g/mol)	245.05
MDL Number	MFCD00000239
SMILES	CCOP(=O)(CCBr)OCC
Synonym	diethyl 2-bromoethyl phosphonate,diethyl 2-bromoethylphosphonate,phosphonic acid, 2-bromoethyl-, diethyl ester,2-bromoethyl phosphonic acid diethyl ester,o,o-diethyl 2-bromoethyl phosphonate,diethyl bromoethylphosphonate,diethyl-2-bromoethyl-phosphonate,pinitsmlvxaasm-uhfffaoysa,diethyl-2-bromoethyl phosphonate
IUPAC Name	1-bromo-2-diethoxyphosphorylethane
InChI Key	PINITSMLVXAASM-UHFFFAOYSA-N
Molecular Formula	C6H14BrO3P

Organic phosphonic acids and derivatives

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