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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

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

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
2

Triethyl 2-phosphonopentanoate, 98%

CAS: 35051-49-1 Molecular Formula: C11H23O5P Molecular Weight (g/mol): 266.274 MDL Number: MFCD00015163 InChI Key: BUPVIVDUPRDDFI-UHFFFAOYSA-N Synonym: triethyl 2-phosphonopentanoate,ethyl 2-diethoxyphosphoryl pentanoate,pentanoic acid, 2-diethoxyphosphinyl-, ethyl ester,valeric acid, 2-diethylphosphono-, ethyl ester,alpha-carbethoxybutylphosphonic acid, diethyl ester,triethyl 2-phosphonovalerate,phosphonic acid, alpha-carbethoxybutyl-, diethyl ester,ethyl 2-diethoxyphosphoryl pentanoate #,diethyl 1-ethoxycarbonyl butylphosphonate PubChem CID: 98244 IUPAC Name: ethyl 2-diethoxyphosphorylpentanoate SMILES: CCCC(C(=O)OCC)P(=O)(OCC)OCC

PubChem CID 98244
CAS 35051-49-1
Molecular Weight (g/mol) 266.274
MDL Number MFCD00015163
SMILES CCCC(C(=O)OCC)P(=O)(OCC)OCC
Synonym triethyl 2-phosphonopentanoate,ethyl 2-diethoxyphosphoryl pentanoate,pentanoic acid, 2-diethoxyphosphinyl-, ethyl ester,valeric acid, 2-diethylphosphono-, ethyl ester,alpha-carbethoxybutylphosphonic acid, diethyl ester,triethyl 2-phosphonovalerate,phosphonic acid, alpha-carbethoxybutyl-, diethyl ester,ethyl 2-diethoxyphosphoryl pentanoate #,diethyl 1-ethoxycarbonyl butylphosphonate
IUPAC Name ethyl 2-diethoxyphosphorylpentanoate
InChI Key BUPVIVDUPRDDFI-UHFFFAOYSA-N
Molecular Formula C11H23O5P
3

Propylenediphosphonic acid, 98+%

CAS: 4671-82-3 Molecular Formula: C3H10O6P2 Molecular Weight (g/mol): 204.055 MDL Number: MFCD00050066 InChI Key: DZQCAOQMXPROIJ-UHFFFAOYSA-N Synonym: propylenediphosphonic acid,acmc-20ajta,propylene-bisphosphonic acid,propylenediphosphonicacid,propane-1,2-diylbis phosphonic acid,1-phosphonopropan-2-yl phosphonic acid PubChem CID: 22023450 IUPAC Name: 1-phosphonopropan-2-ylphosphonic acid SMILES: CC(CP(=O)(O)O)P(=O)(O)O

PubChem CID 22023450
CAS 4671-82-3
Molecular Weight (g/mol) 204.055
MDL Number MFCD00050066
SMILES CC(CP(=O)(O)O)P(=O)(O)O
Synonym propylenediphosphonic acid,acmc-20ajta,propylene-bisphosphonic acid,propylenediphosphonicacid,propane-1,2-diylbis phosphonic acid,1-phosphonopropan-2-yl phosphonic acid
IUPAC Name 1-phosphonopropan-2-ylphosphonic acid
InChI Key DZQCAOQMXPROIJ-UHFFFAOYSA-N
Molecular Formula C3H10O6P2
4

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

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
5

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

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
6

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

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
7

Diethyl trichloromethylphosphonate, 98%

CAS: 866-23-9 Molecular Formula: C5H10Cl3O3P Molecular Weight (g/mol): 255.46 MDL Number: MFCD00013666 InChI Key: RVAQSYWDOSHWGP-UHFFFAOYSA-N Synonym: diethyl trichloromethylphosphonate,diethyl trichloromethyl phosphonate,phosphonic acid, trichloromethyl-, diethyl ester,methanephosphonic acid, trichloro-, diethyl ester,diethyltrichloromethylphosphonate,wln: gxggpo&o2&o2,4-03-00-00262 beilstein handbook reference,trichloromethylphosphonic acid diethyl,diethoxyphosphino trichloromethyl-1-one PubChem CID: 70085 IUPAC Name: 1-[ethoxy(trichloromethyl)phosphoryl]oxyethane SMILES: CCOP(=O)(OCC)C(Cl)(Cl)Cl

PubChem CID 70085
CAS 866-23-9
Molecular Weight (g/mol) 255.46
MDL Number MFCD00013666
SMILES CCOP(=O)(OCC)C(Cl)(Cl)Cl
Synonym diethyl trichloromethylphosphonate,diethyl trichloromethyl phosphonate,phosphonic acid, trichloromethyl-, diethyl ester,methanephosphonic acid, trichloro-, diethyl ester,diethyltrichloromethylphosphonate,wln: gxggpo&o2&o2,4-03-00-00262 beilstein handbook reference,trichloromethylphosphonic acid diethyl,diethoxyphosphino trichloromethyl-1-one
IUPAC Name 1-[ethoxy(trichloromethyl)phosphoryl]oxyethane
InChI Key RVAQSYWDOSHWGP-UHFFFAOYSA-N
Molecular Formula C5H10Cl3O3P
8

1,2-Bis(dimethoxyphosphoryl)benzene, 99%

CAS: 15104-46-8 Molecular Formula: C10H16O6P2 Molecular Weight (g/mol): 294.18 MDL Number: MFCD00142461 InChI Key: TUKTVDDATWNXSN-UHFFFAOYSA-N Synonym: 1,2-bis dimethoxyphosphoryl benzene,tetramethyl 1,2-phenylenebis phosphonate,tetramethyl-1,2-phenylenediphosphonate,dimethyl 2-dimethoxyphosphoryl phenylphosphonate,acmc-20ap6x,bis dimethoxyphosphoryl benzene,1,2-bis dimethoxyphosphinyl benzene,1,2-bis dimethoxyphosphoryl benzene 500mg,2-dimethoxycarbonyl phenyl dimethoxyphosphino-1-one PubChem CID: 2733153 IUPAC Name: 1,2-bis(dimethoxyphosphoryl)benzene SMILES: COP(=O)(C1=CC=CC=C1P(=O)(OC)OC)OC

PubChem CID 2733153
CAS 15104-46-8
Molecular Weight (g/mol) 294.18
MDL Number MFCD00142461
SMILES COP(=O)(C1=CC=CC=C1P(=O)(OC)OC)OC
Synonym 1,2-bis dimethoxyphosphoryl benzene,tetramethyl 1,2-phenylenebis phosphonate,tetramethyl-1,2-phenylenediphosphonate,dimethyl 2-dimethoxyphosphoryl phenylphosphonate,acmc-20ap6x,bis dimethoxyphosphoryl benzene,1,2-bis dimethoxyphosphinyl benzene,1,2-bis dimethoxyphosphoryl benzene 500mg,2-dimethoxycarbonyl phenyl dimethoxyphosphino-1-one
IUPAC Name 1,2-bis(dimethoxyphosphoryl)benzene
InChI Key TUKTVDDATWNXSN-UHFFFAOYSA-N
Molecular Formula C10H16O6P2
9

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

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
10

Dimethyl allylphosphonate, tech. 85%, Thermo Scientific Chemicals

CAS: 757-54-0 Molecular Formula: C5H11O3P Molecular Weight (g/mol): 150.114 MDL Number: MFCD00014951 InChI Key: ZOSQAGGCVFVCNO-UHFFFAOYSA-N Synonym: dimethyl allylphosphonate,allyl phosphonic acid dimethyl ester,dimethyl prop-2-en-1-ylphosphonate,acmc-20al6z,dimethyl allyl phosphonate,allylphosphonic acid dimethyl,allylphosphonic acid dimethyl ester PubChem CID: 136570 IUPAC Name: 3-dimethoxyphosphorylprop-1-ene SMILES: COP(=O)(CC=C)OC

PubChem CID 136570
CAS 757-54-0
Molecular Weight (g/mol) 150.114
MDL Number MFCD00014951
SMILES COP(=O)(CC=C)OC
Synonym dimethyl allylphosphonate,allyl phosphonic acid dimethyl ester,dimethyl prop-2-en-1-ylphosphonate,acmc-20al6z,dimethyl allyl phosphonate,allylphosphonic acid dimethyl,allylphosphonic acid dimethyl ester
IUPAC Name 3-dimethoxyphosphorylprop-1-ene
InChI Key ZOSQAGGCVFVCNO-UHFFFAOYSA-N
Molecular Formula C5H11O3P
11

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

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
12

(Hydroxy-2-naphthylmethyl)phosphonic acid, 98%, Thermo Scientific Chemicals

CAS: 132541-52-7 Molecular Formula: C11H11O4P Molecular Weight (g/mol): 238.179 MDL Number: MFCD00674174 InChI Key: AMJJLDJPDLKNJA-UHFFFAOYSA-N Synonym: hnmpa,hydroxy-2-naphthalenylmethyl phosphonic acid,hydroxy 2-naphthyl methanephosphonic acid,hydroxy naphthalen-2-yl methylphosphonic acid,hydroxy naphthalen-2-yl methyl phosphonic acid,phosphonic acid, p-hydroxy-2-naphthalenylmethyl,oh-name-pa,acmc-1cglf,biomolki_000021,biomolki2_000010 PubChem CID: 129317 IUPAC Name: [hydroxy(naphthalen-2-yl)methyl]phosphonic acid SMILES: C1=CC=C2C=C(C=CC2=C1)C(O)P(=O)(O)O

PubChem CID 129317
CAS 132541-52-7
Molecular Weight (g/mol) 238.179
MDL Number MFCD00674174
SMILES C1=CC=C2C=C(C=CC2=C1)C(O)P(=O)(O)O
Synonym hnmpa,hydroxy-2-naphthalenylmethyl phosphonic acid,hydroxy 2-naphthyl methanephosphonic acid,hydroxy naphthalen-2-yl methylphosphonic acid,hydroxy naphthalen-2-yl methyl phosphonic acid,phosphonic acid, p-hydroxy-2-naphthalenylmethyl,oh-name-pa,acmc-1cglf,biomolki_000021,biomolki2_000010
IUPAC Name [hydroxy(naphthalen-2-yl)methyl]phosphonic acid
InChI Key AMJJLDJPDLKNJA-UHFFFAOYSA-N
Molecular Formula C11H11O4P
13

Phosphonoacetic acid, 98+%

CAS: 4408-78-0 Molecular Formula: C2H5O5P Molecular Weight (g/mol): 140.03 MDL Number: MFCD00004311 InChI Key: XUYJLQHKOGNDPB-UHFFFAOYSA-N Synonym: phosphonoacetic acid,fosfonet,phosphonoacetate,acetic acid, phosphono,fosfonet sodium,phosphonacetic acid,carboxymethanephosphonic acid,fosfonoacetic acid,disodium phosphonoacetate,lopac-p-6909 PubChem CID: 546 ChEBI: CHEBI:15732 IUPAC Name: 2-phosphonoacetic acid SMILES: OC(=O)CP(O)(O)=O

PubChem CID 546
CAS 4408-78-0
Molecular Weight (g/mol) 140.03
ChEBI CHEBI:15732
MDL Number MFCD00004311
SMILES OC(=O)CP(O)(O)=O
Synonym phosphonoacetic acid,fosfonet,phosphonoacetate,acetic acid, phosphono,fosfonet sodium,phosphonacetic acid,carboxymethanephosphonic acid,fosfonoacetic acid,disodium phosphonoacetate,lopac-p-6909
IUPAC Name 2-phosphonoacetic acid
InChI Key XUYJLQHKOGNDPB-UHFFFAOYSA-N
Molecular Formula C2H5O5P
14

Triethyl 3-phosphonopropionate, 98%

CAS: 3699-67-0 Molecular Formula: C9H19O5P Molecular Weight (g/mol): 238.22 MDL Number: MFCD00015167 InChI Key: JMJWCUOIOKBVNQ-UHFFFAOYSA-N Synonym: ethyl 3-diethoxyphosphoryl propanoate,triethyl 3-phosphonopropionate,3-diethylphosphonopropionic acid ethyl ester,triethyl 3-phosphonopropanoate,ethyl 3-diethoxyphosphinyl propionate,ethyl 3-diethoxycarbonyl propanoate,propanoic acid, 3-diethoxyphosphinyl-, ethyl ester,ethyl 3-diethylphosphonopropionate,ethyl 3-diethylphosphono-propionate,ethyl 3-diethylphosphono propanoate PubChem CID: 281204 IUPAC Name: ethyl 3-diethoxyphosphorylpropanoate SMILES: CCOC(=O)CCP(=O)(OCC)OCC

PubChem CID 281204
CAS 3699-67-0
Molecular Weight (g/mol) 238.22
MDL Number MFCD00015167
SMILES CCOC(=O)CCP(=O)(OCC)OCC
Synonym ethyl 3-diethoxyphosphoryl propanoate,triethyl 3-phosphonopropionate,3-diethylphosphonopropionic acid ethyl ester,triethyl 3-phosphonopropanoate,ethyl 3-diethoxyphosphinyl propionate,ethyl 3-diethoxycarbonyl propanoate,propanoic acid, 3-diethoxyphosphinyl-, ethyl ester,ethyl 3-diethylphosphonopropionate,ethyl 3-diethylphosphono-propionate,ethyl 3-diethylphosphono propanoate
IUPAC Name ethyl 3-diethoxyphosphorylpropanoate
InChI Key JMJWCUOIOKBVNQ-UHFFFAOYSA-N
Molecular Formula C9H19O5P
15

11-Hydroxyundecylphosphonic acid, 95%

CAS: 83905-98-0 Molecular Formula: C11H25O4P Molecular Weight (g/mol): 252.291 MDL Number: MFCD11982869 InChI Key: PPCDEFQVKBXBPS-UHFFFAOYSA-N Synonym: 11-hydroxyundecyl phosphonic acid,11-hydroxyundecyl-1-phosphonic acid,11-hydroxyundecylphosphonic acid,phosphonic acid, 11-hydroxyundecyl,11-hydroxyundecylphosphonic acid gc PubChem CID: 45158971 IUPAC Name: 11-hydroxyundecylphosphonic acid SMILES: C(CCCCCO)CCCCCP(=O)(O)O

PubChem CID 45158971
CAS 83905-98-0
Molecular Weight (g/mol) 252.291
MDL Number MFCD11982869
SMILES C(CCCCCO)CCCCCP(=O)(O)O
Synonym 11-hydroxyundecyl phosphonic acid,11-hydroxyundecyl-1-phosphonic acid,11-hydroxyundecylphosphonic acid,phosphonic acid, 11-hydroxyundecyl,11-hydroxyundecylphosphonic acid gc
IUPAC Name 11-hydroxyundecylphosphonic acid
InChI Key PPCDEFQVKBXBPS-UHFFFAOYSA-N
Molecular Formula C11H25O4P