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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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1

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.

3

tert-Butylphosphonic acid, 98%

CAS: 4923-84-6 Formule moléculaire: C4H9O3P Poids moléculaire (g/mol): 136.09 Numéro MDL: MFCD00012296 Clé InChI: OGDSVONAYZTTDA-UHFFFAOYSA-L Synonyme: phosphonic acid, 1,1-dimethylethyl,acmc-20ajka,t-butylphosphonic acid,tert-butylphosphonic acid,2-methylprop-2-ylphosphonic acid,phosphonicacid, 1,1-dimethylethyl CID PubChem: 312546 Nom IUPAC: tert-butylphosphonic acid SMILES: CC(C)(C)P([O-])([O-])=O

Poids moléculaire (g/mol) 136.09
Synonyme phosphonic acid, 1,1-dimethylethyl,acmc-20ajka,t-butylphosphonic acid,tert-butylphosphonic acid,2-methylprop-2-ylphosphonic acid,phosphonicacid, 1,1-dimethylethyl
Numéro MDL MFCD00012296
CAS 4923-84-6
CID PubChem 312546
Nom IUPAC tert-butylphosphonic acid
Clé InChI OGDSVONAYZTTDA-UHFFFAOYSA-L
SMILES CC(C)(C)P([O-])([O-])=O
Formule moléculaire C4H9O3P
4

Diethyl allylphosphonate, 97%

CAS: 1067-87-4 Formule moléculaire: C7H15O3P Poids moléculaire (g/mol): 178.17 Numéro MDL: MFCD00015134 Clé InChI: YPJHXRAHMUKXAE-UHFFFAOYSA-N Synonyme: diethyl allylphosphonate,diethyl prop-2-en-1-ylphosphonate,diethyl-allylphosphonate,acmc-1bprn,phosphonic acid, 2-propenyl-, diethyl ester,allylphosphonic acid diethyl,3-diethoxyphosphoryl-prop-1-ene,allylphosphonic acid diethyl ester,allyl phosphonic acid diethyl ester CID PubChem: 573014 Nom IUPAC: 3-diethoxyphosphorylprop-1-ene SMILES: CCOP(=O)(CC=C)OCC

Poids moléculaire (g/mol) 178.17
Synonyme diethyl allylphosphonate,diethyl prop-2-en-1-ylphosphonate,diethyl-allylphosphonate,acmc-1bprn,phosphonic acid, 2-propenyl-, diethyl ester,allylphosphonic acid diethyl,3-diethoxyphosphoryl-prop-1-ene,allylphosphonic acid diethyl ester,allyl phosphonic acid diethyl ester
Numéro MDL MFCD00015134
CAS 1067-87-4
CID PubChem 573014
Nom IUPAC 3-diethoxyphosphorylprop-1-ene
Clé InChI YPJHXRAHMUKXAE-UHFFFAOYSA-N
SMILES CCOP(=O)(CC=C)OCC
Formule moléculaire C7H15O3P
5

Diethyl (hydroxymethyl)phosphonate, 97%

CAS: 3084-40-0 Formule moléculaire: C5H13O4P Poids moléculaire (g/mol): 168.13 Numéro MDL: MFCD00014418 Clé InChI: RWIGWWBLTJLKMK-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 76513 Nom IUPAC: diethoxyphosphorylmethanol SMILES: CCOP(=O)(CO)OCC

Poids moléculaire (g/mol) 168.13
Synonyme 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
Numéro MDL MFCD00014418
CAS 3084-40-0
CID PubChem 76513
Nom IUPAC diethoxyphosphorylmethanol
Clé InChI RWIGWWBLTJLKMK-UHFFFAOYSA-N
SMILES CCOP(=O)(CO)OCC
Formule moléculaire C5H13O4P
6

Diethyl (aminomethyl)phosphonate oxalate, 95%

CAS: 117196-73-3 Formule moléculaire: C5H14NO3P·C2H2O4 Poids moléculaire (g/mol): 257.18 Numéro MDL: MFCD00800255 Clé InChI: OVHZWLGNOJBTDI-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 2733594 Nom IUPAC: diethoxyphosphorylmethanamine;oxalic acid SMILES: CCOP(=O)(CN)OCC.C(=O)(C(=O)O)O

Poids moléculaire (g/mol) 257.18
Synonyme 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
Numéro MDL MFCD00800255
CAS 117196-73-3
CID PubChem 2733594
Nom IUPAC diethoxyphosphorylmethanamine;oxalic acid
Clé InChI OVHZWLGNOJBTDI-UHFFFAOYSA-N
SMILES CCOP(=O)(CN)OCC.C(=O)(C(=O)O)O
Formule moléculaire C5H14NO3P·C2H2O4
7

Diethyl methylphosphonate, 96%, Thermo Scientific Chemicals

CAS: 683-08-9 Formule moléculaire: C5H13O3P Poids moléculaire (g/mol): 152.13 Numéro MDL: MFCD00009813 Clé InChI: NYYLZXREFNYPKB-UHFFFAOYSA-N Synonyme: diethyl methylphosphonate,diethyl methanephosphonate,phosphonic acid, methyl-, diethyl ester,demp,1-ethoxy methyl phosphoryl oxyethane,methyl-phosphonicacidiethylester,diethylmethylphosphonate,diethyl methyphosphonate,diethoxymethylphosphine oxide,acmc-1b13h CID PubChem: 12685 Nom IUPAC: 1-[ethoxy(methyl)phosphoryl]oxyethane SMILES: CCOP(C)(=O)OCC

Poids moléculaire (g/mol) 152.13
Synonyme diethyl methylphosphonate,diethyl methanephosphonate,phosphonic acid, methyl-, diethyl ester,demp,1-ethoxy methyl phosphoryl oxyethane,methyl-phosphonicacidiethylester,diethylmethylphosphonate,diethyl methyphosphonate,diethoxymethylphosphine oxide,acmc-1b13h
Numéro MDL MFCD00009813
CAS 683-08-9
CID PubChem 12685
Nom IUPAC 1-[ethoxy(methyl)phosphoryl]oxyethane
Clé InChI NYYLZXREFNYPKB-UHFFFAOYSA-N
SMILES CCOP(C)(=O)OCC
Formule moléculaire C5H13O3P
8

Benzyl dimethyl phosphonoacetate, 98%

CAS: 57443-18-2 Formule moléculaire: C11H15O5P Poids moléculaire (g/mol): 258.21 Numéro MDL: MFCD01872507 Clé InChI: QYLGNJMIOVHLQQ-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 2773759 Nom IUPAC: benzyl 2-dimethoxyphosphorylacetate SMILES: COP(=O)(CC(=O)OCC1=CC=CC=C1)OC

Poids moléculaire (g/mol) 258.21
Synonyme 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
Numéro MDL MFCD01872507
CAS 57443-18-2
CID PubChem 2773759
Nom IUPAC benzyl 2-dimethoxyphosphorylacetate
Clé InChI QYLGNJMIOVHLQQ-UHFFFAOYSA-N
SMILES COP(=O)(CC(=O)OCC1=CC=CC=C1)OC
Formule moléculaire C11H15O5P
9

(Aminomethyl)phosphonic acid, 99%, Thermo Scientific Chemicals

CAS: 1066-51-9 Formule moléculaire: CH6NO3P Poids moléculaire (g/mol): 111.04 Numéro MDL: MFCD00008105 Clé InChI: MGRVRXRGTBOSHW-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 14017 ChEBI: CHEBI:28812 Nom IUPAC: aminomethylphosphonic acid SMILES: C(N)P(=O)(O)O

Poids moléculaire (g/mol) 111.04
Synonyme 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
Numéro MDL MFCD00008105
CAS 1066-51-9
CID PubChem 14017
ChEBI CHEBI:28812
Nom IUPAC aminomethylphosphonic acid
Clé InChI MGRVRXRGTBOSHW-UHFFFAOYSA-N
SMILES C(N)P(=O)(O)O
Formule moléculaire CH6NO3P
10

Methyl diethylphosphonoacetate, 97%

CAS: 1067-74-9 Formule moléculaire: C7H15O5P Poids moléculaire (g/mol): 210.17 Numéro MDL: MFCD00009081 Clé InChI: CTSAXXHOGZNKJR-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 66113 Nom IUPAC: methyl 2-diethoxyphosphorylacetate SMILES: CCOP(=O)(CC(=O)OC)OCC

Poids moléculaire (g/mol) 210.17
Synonyme 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
Numéro MDL MFCD00009081
CAS 1067-74-9
CID PubChem 66113
Nom IUPAC methyl 2-diethoxyphosphorylacetate
Clé InChI CTSAXXHOGZNKJR-UHFFFAOYSA-N
SMILES CCOP(=O)(CC(=O)OC)OCC
Formule moléculaire C7H15O5P
11

Diethyl (2-oxopropyl)phosphonate, 96%

CAS: 1067-71-6 Formule moléculaire: C7H19O4P Poids moléculaire (g/mol): 198.2 Numéro MDL: MFCD00044728 Clé InChI: RSAFKRSMGOSHRK-UHFFFAOYSA-N Synonyme: diethyl 2-oxopropyl phosphonate,diethyl acetonylphosphonate,diethyl 2-oxopropylphosphonate,acetonylphosphonic acid diethyl ester,2-oxopropyl phosphonic acid diethyl ester,phosphonic acid, 2-oxopropyl-, diethyl ester,aurora ka-1476,ksc490a4t,diethyl acetylmethylphosphonate CID PubChem: 14028 Nom IUPAC: 1-diethoxyphosphorylpropan-2-one SMILES: CCOP(=O)(CC(=O)C)OCC

Poids moléculaire (g/mol) 198.2
Synonyme diethyl 2-oxopropyl phosphonate,diethyl acetonylphosphonate,diethyl 2-oxopropylphosphonate,acetonylphosphonic acid diethyl ester,2-oxopropyl phosphonic acid diethyl ester,phosphonic acid, 2-oxopropyl-, diethyl ester,aurora ka-1476,ksc490a4t,diethyl acetylmethylphosphonate
Numéro MDL MFCD00044728
CAS 1067-71-6
CID PubChem 14028
Nom IUPAC 1-diethoxyphosphorylpropan-2-one
Clé InChI RSAFKRSMGOSHRK-UHFFFAOYSA-N
SMILES CCOP(=O)(CC(=O)C)OCC
Formule moléculaire C7H19O4P
12

Phenylphosphonic acid, 98%

CAS: 1571-33-1 Formule moléculaire: C6H7O3P Poids moléculaire (g/mol): 158.09 Numéro MDL: MFCD00002136 Clé InChI: QLZHNIAADXEJJP-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 15295 Nom IUPAC: phenylphosphonic acid SMILES: OP(O)(=O)C1=CC=CC=C1

Poids moléculaire (g/mol) 158.09
Synonyme 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
Numéro MDL MFCD00002136
CAS 1571-33-1
CID PubChem 15295
Nom IUPAC phenylphosphonic acid
Clé InChI QLZHNIAADXEJJP-UHFFFAOYSA-N
SMILES OP(O)(=O)C1=CC=CC=C1
Formule moléculaire C6H7O3P
13

Trimethyl phosphonoacetate, 98%

CAS: 5927-18-4 Formule moléculaire: C5H11O5P Poids moléculaire (g/mol): 182.11 Clé InChI: SIGOIUCRXKUEIG-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 80029 Nom IUPAC: methyl 2-dimethoxyphosphorylacetate SMILES: COC(=O)CP(=O)(OC)OC

Poids moléculaire (g/mol) 182.11
Synonyme 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
CAS 5927-18-4
CID PubChem 80029
Nom IUPAC methyl 2-dimethoxyphosphorylacetate
Clé InChI SIGOIUCRXKUEIG-UHFFFAOYSA-N
SMILES COC(=O)CP(=O)(OC)OC
Formule moléculaire C5H11O5P
14

Triethyl phosphonoacetate, 97%

CAS: 867-13-0 Formule moléculaire: C8H17O5P Poids moléculaire (g/mol): 224.19 Clé InChI: GGUBFICZYGKNTD-UHFFFAOYSA-N Synonyme: triethyl phosphonoacetate,ethyl 2-diethoxyphosphoryl acetate,ethyl diethoxyphosphoryl acetate,ethyl diethylphosphono acetate,triethyl phosphonoethanoate,diethyl carboethoxymethylphosphonate,diethyl ethoxycarbonylmethanephosphonate,diethylphosphonoacetic acid ethyl ester,diethyl carbethoxymethylphosphonate CID PubChem: 13345 Nom IUPAC: ethyl 2-diethoxyphosphorylacetate SMILES: CCOC(=O)CP(=O)(OCC)OCC

Poids moléculaire (g/mol) 224.19
Synonyme triethyl phosphonoacetate,ethyl 2-diethoxyphosphoryl acetate,ethyl diethoxyphosphoryl acetate,ethyl diethylphosphono acetate,triethyl phosphonoethanoate,diethyl carboethoxymethylphosphonate,diethyl ethoxycarbonylmethanephosphonate,diethylphosphonoacetic acid ethyl ester,diethyl carbethoxymethylphosphonate
CAS 867-13-0
CID PubChem 13345
Nom IUPAC ethyl 2-diethoxyphosphorylacetate
Clé InChI GGUBFICZYGKNTD-UHFFFAOYSA-N
SMILES CCOC(=O)CP(=O)(OCC)OCC
Formule moléculaire C8H17O5P
15

2-Chloroethylphosphonic acid, 90%, Tech.

CAS: 16672-87-0 Formule moléculaire: C2H6ClO3P Poids moléculaire (g/mol): 144.49 Numéro MDL: MFCD00002142 Clé InChI: UDPGUMQDCGORJQ-UHFFFAOYSA-N Synonyme: ethephon,2-chloroethyl phosphonic acid,ethrel,chlorethephon,bromeflor,camposan,2-cepa,phosphonic acid, 2-chloroethyl,2-chloroethanephosphonic acid,etheverse CID PubChem: 27982 ChEBI: CHEBI:52741 Nom IUPAC: 2-chloroethylphosphonic acid SMILES: OP(O)(=O)CCCl

Poids moléculaire (g/mol) 144.49
Synonyme ethephon,2-chloroethyl phosphonic acid,ethrel,chlorethephon,bromeflor,camposan,2-cepa,phosphonic acid, 2-chloroethyl,2-chloroethanephosphonic acid,etheverse
Numéro MDL MFCD00002142
CAS 16672-87-0
CID PubChem 27982
ChEBI CHEBI:52741
Nom IUPAC 2-chloroethylphosphonic acid
Clé InChI UDPGUMQDCGORJQ-UHFFFAOYSA-N
SMILES OP(O)(=O)CCCl
Formule moléculaire C2H6ClO3P