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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.

2

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
3

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
4

Benzylphosphonic acid, 98%

CAS: 6881-57-8 Formule moléculaire: C7H7O3P Poids moléculaire (g/mol): 170.11 Numéro MDL: MFCD00039519 Clé InChI: OGBVRMYSNSKIEF-UHFFFAOYSA-L Synonyme: 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 CID PubChem: 81312 Nom IUPAC: benzylphosphonic acid SMILES: [O-]P([O-])(=O)CC1=CC=CC=C1

Poids moléculaire (g/mol) 170.11
Synonyme 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
Numéro MDL MFCD00039519
CAS 6881-57-8
CID PubChem 81312
Nom IUPAC benzylphosphonic acid
Clé InChI OGBVRMYSNSKIEF-UHFFFAOYSA-L
SMILES [O-]P([O-])(=O)CC1=CC=CC=C1
Formule moléculaire C7H7O3P
6

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
7

(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
8

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
9

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
10

Diethylphosphonoacetic acid, 98%

CAS: 3095-95-2 Formule moléculaire: C6H13O5P Poids moléculaire (g/mol): 196.14 Numéro MDL: MFCD00192032 Clé InChI: DVQMPWOLBFKUMM-UHFFFAOYSA-N Synonyme: 2-diethoxyphosphoryl acetic acid,diethylphosphonoacetic acid,diethyl carboxymethylphosphonate,diethoxyphosphorylacetic acid,diethyl phosphonoacetate,diethoxyphosphoryl acetic acid,acetic acid, diethoxyphosphinyl,acmc-20al82,diethylphosphonoethanoic acid,diethylcarboxymethylphosphonate CID PubChem: 36704 Nom IUPAC: 2-diethoxyphosphorylacetic acid SMILES: CCOP(=O)(CC(=O)O)OCC

Poids moléculaire (g/mol) 196.14
Synonyme 2-diethoxyphosphoryl acetic acid,diethylphosphonoacetic acid,diethyl carboxymethylphosphonate,diethoxyphosphorylacetic acid,diethyl phosphonoacetate,diethoxyphosphoryl acetic acid,acetic acid, diethoxyphosphinyl,acmc-20al82,diethylphosphonoethanoic acid,diethylcarboxymethylphosphonate
Numéro MDL MFCD00192032
CAS 3095-95-2
CID PubChem 36704
Nom IUPAC 2-diethoxyphosphorylacetic acid
Clé InChI DVQMPWOLBFKUMM-UHFFFAOYSA-N
SMILES CCOP(=O)(CC(=O)O)OCC
Formule moléculaire C6H13O5P
11

Tetraethyl methylenediphosphonate, 97%

CAS: 1660-94-2 Formule moléculaire: C9H22O6P2 Poids moléculaire (g/mol): 288.22 Numéro MDL: MFCD00039887 Clé InChI: STJWVOQLJPNAQL-UHFFFAOYSA-N Synonyme: tetraethyl methylenediphosphonate,tetraethyl methanediphosphonate,tetraethyl diphosphonomethane,methylenebis diethylphosphonate,tetraethyl methylenebisphosphonate,phosphonic acid, methylenebis-, tetraethyl ester,methylenebis diethoxyphosphine oxide,methylenebisphosphonic acid, tetraethyl ester,phosphonic acid, methylenedi-, tetraethyl ester,methylenedi phosphonic acid tetraethyl ester CID PubChem: 15455 Nom IUPAC: 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane SMILES: CCOP(=O)(CP(=O)(OCC)OCC)OCC

Poids moléculaire (g/mol) 288.22
Synonyme tetraethyl methylenediphosphonate,tetraethyl methanediphosphonate,tetraethyl diphosphonomethane,methylenebis diethylphosphonate,tetraethyl methylenebisphosphonate,phosphonic acid, methylenebis-, tetraethyl ester,methylenebis diethoxyphosphine oxide,methylenebisphosphonic acid, tetraethyl ester,phosphonic acid, methylenedi-, tetraethyl ester,methylenedi phosphonic acid tetraethyl ester
Numéro MDL MFCD00039887
CAS 1660-94-2
CID PubChem 15455
Nom IUPAC 1-[diethoxyphosphorylmethyl(ethoxy)phosphoryl]oxyethane
Clé InChI STJWVOQLJPNAQL-UHFFFAOYSA-N
SMILES CCOP(=O)(CP(=O)(OCC)OCC)OCC
Formule moléculaire C9H22O6P2
12

(2-Aminoethyl)phosphonic acid, 99%, Thermo Scientific Chemicals

CAS: 2041-14-7 Formule moléculaire: C2H8NO3P Poids moléculaire (g/mol): 125.06 Numéro MDL: MFCD00008182 Clé InChI: QQVDJLLNRSOCEL-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 339 ChEBI: CHEBI:15573 Nom IUPAC: 2-aminoethylphosphonic acid SMILES: NCCP(O)(O)=O

Poids moléculaire (g/mol) 125.06
Synonyme 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
Numéro MDL MFCD00008182
CAS 2041-14-7
CID PubChem 339
ChEBI CHEBI:15573
Nom IUPAC 2-aminoethylphosphonic acid
Clé InChI QQVDJLLNRSOCEL-UHFFFAOYSA-N
SMILES NCCP(O)(O)=O
Formule moléculaire C2H8NO3P
13

Diethyl (4-nitrobenzyl)phosphonate, 98%

CAS: 2609-49-6 Formule moléculaire: C11H16NO5P Poids moléculaire (g/mol): 273.22 Numéro MDL: MFCD00047747 Clé InChI: FORMFFDDQMCTCT-UHFFFAOYSA-N CID PubChem: 256065 Nom IUPAC: 1-(diethoxyphosphorylmethyl)-4-nitrobenzene SMILES: CCOP(=O)(CC1=CC=C(C=C1)[N+](=O)[O-])OCC

Poids moléculaire (g/mol) 273.22
Numéro MDL MFCD00047747
CAS 2609-49-6
CID PubChem 256065
Nom IUPAC 1-(diethoxyphosphorylmethyl)-4-nitrobenzene
Clé InChI FORMFFDDQMCTCT-UHFFFAOYSA-N
SMILES CCOP(=O)(CC1=CC=C(C=C1)[N+](=O)[O-])OCC
Formule moléculaire C11H16NO5P
14

Diethyl (2-aminoethyl)phosphonate oxalate, 97%

CAS: 203192-98-7 Formule moléculaire: C6H17NO3P Poids moléculaire (g/mol): 182.18 Numéro MDL: MFCD00800256 Clé InChI: JUAGHBASZWRMQH-UHFFFAOYSA-O Synonyme: diethyl 2-aminoethyl phosphonate oxalate,diethyl aminoethyl phosphonate oxalate,2-diethoxyphosphoryl ethylamine oxalate,2-diethoxyphosphorylethanamine; oxalic acid,oxalic acid diethyl 2-aminoethylphosphonate,diethyl 2-aminoethyl phosphonate oxalate salt,diethyl 2-aminoethyl phosphonate ethanedioate,aminoethylphosphonic acid diethylester oxalate salt CID PubChem: 2733595 Nom IUPAC: 2-diethoxyphosphorylethanamine;oxalic acid SMILES: CCOP(=O)(CC[NH3+])OCC

Poids moléculaire (g/mol) 182.18
Synonyme diethyl 2-aminoethyl phosphonate oxalate,diethyl aminoethyl phosphonate oxalate,2-diethoxyphosphoryl ethylamine oxalate,2-diethoxyphosphorylethanamine; oxalic acid,oxalic acid diethyl 2-aminoethylphosphonate,diethyl 2-aminoethyl phosphonate oxalate salt,diethyl 2-aminoethyl phosphonate ethanedioate,aminoethylphosphonic acid diethylester oxalate salt
Numéro MDL MFCD00800256
CAS 203192-98-7
CID PubChem 2733595
Nom IUPAC 2-diethoxyphosphorylethanamine;oxalic acid
Clé InChI JUAGHBASZWRMQH-UHFFFAOYSA-O
SMILES CCOP(=O)(CC[NH3+])OCC
Formule moléculaire C6H17NO3P
15

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

CAS: 15110-17-5 Formule moléculaire: C11H25O5P Poids moléculaire (g/mol): 268.29 Numéro MDL: MFCD00800259 Clé InChI: WKPXMGJOGYEGNW-UHFFFAOYSA-N Synonyme: 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 CID PubChem: 328856 Nom IUPAC: 3-diethoxyphosphoryl-1,1-diethoxypropane SMILES: CCOC(CCP(=O)(OCC)OCC)OCC

Poids moléculaire (g/mol) 268.29
Synonyme 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
Numéro MDL MFCD00800259
CAS 15110-17-5
CID PubChem 328856
Nom IUPAC 3-diethoxyphosphoryl-1,1-diethoxypropane
Clé InChI WKPXMGJOGYEGNW-UHFFFAOYSA-N
SMILES CCOC(CCP(=O)(OCC)OCC)OCC
Formule moléculaire C11H25O5P