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Organic phosphoric acids and derivatives

Organic compounds that consist of phosphoric acid with organic functional group substitutions; includes compounds that are derived from organic phosphoric acids.

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1

Triethyl phosphate, 99+%

CAS: 78-40-0 Molecular Formula: C6H15O4P Molecular Weight (g/mol): 182.16 MDL Number: MFCD00009077 InChI Key: DQWPFSLDHJDLRL-UHFFFAOYSA-N Synonym: triethylphosphate,phosphoric acid, triethyl ester,tris ethyl phosphate,triethoxyphosphine oxide,triethylfosfat,ethyl phosphate eto 3po,triethylfosfat czech,ethyl phosphate van,unii-qih4k96k7j,phosphoric acid triethyl ester PubChem CID: 6535 ChEBI: CHEBI:45927 IUPAC Name: triethyl phosphate SMILES: CCOP(=O)(OCC)OCC

EDGE
PubChem CID 6535
CAS 78-40-0
Molecular Weight (g/mol) 182.16
ChEBI CHEBI:45927
MDL Number MFCD00009077
SMILES CCOP(=O)(OCC)OCC
Synonym triethylphosphate,phosphoric acid, triethyl ester,tris ethyl phosphate,triethoxyphosphine oxide,triethylfosfat,ethyl phosphate eto 3po,triethylfosfat czech,ethyl phosphate van,unii-qih4k96k7j,phosphoric acid triethyl ester
IUPAC Name triethyl phosphate
InChI Key DQWPFSLDHJDLRL-UHFFFAOYSA-N
Molecular Formula C6H15O4P
2

Triethyl phosphate, 98+%

CAS: 78-40-0 Molecular Formula: C6H15O4P Molecular Weight (g/mol): 182.16 MDL Number: MFCD00009077 InChI Key: DQWPFSLDHJDLRL-UHFFFAOYSA-N Synonym: triethylphosphate,phosphoric acid, triethyl ester,tris ethyl phosphate,triethoxyphosphine oxide,triethylfosfat,ethyl phosphate eto 3po,triethylfosfat czech,ethyl phosphate van,unii-qih4k96k7j,phosphoric acid triethyl ester PubChem CID: 6535 ChEBI: CHEBI:45927 IUPAC Name: triethyl phosphate SMILES: CCOP(=O)(OCC)OCC

EDGE
PubChem CID 6535
CAS 78-40-0
Molecular Weight (g/mol) 182.16
ChEBI CHEBI:45927
MDL Number MFCD00009077
SMILES CCOP(=O)(OCC)OCC
Synonym triethylphosphate,phosphoric acid, triethyl ester,tris ethyl phosphate,triethoxyphosphine oxide,triethylfosfat,ethyl phosphate eto 3po,triethylfosfat czech,ethyl phosphate van,unii-qih4k96k7j,phosphoric acid triethyl ester
IUPAC Name triethyl phosphate
InChI Key DQWPFSLDHJDLRL-UHFFFAOYSA-N
Molecular Formula C6H15O4P
3

1-Naphthyl phosphate disodium salt hydrate, 99%

CAS: 207569-06-0 Molecular Formula: C10H7Na2O4P Molecular Weight (g/mol): 268.12 MDL Number: MFCD00041007 InChI Key: QYURIFWAOPAPAJ-UHFFFAOYSA-L Synonym: 1-naphthyl phosphate disodium salt hydrate,sodium naphthalen-1-yl phosphate hydrate,disodium 1-naphthyl phosphate hydrate,disodium hydrate naphthalen-1-yl phosphate,1-naphthyl phosphate sodium salt monohydrate,c10h7o4p.2na.h2o,1-naphthyl?phosphate?disodium?salt?hydrate,1-naphthyl phosphate disodium salt monohydrate,dihydrogen naphthyl phosphate, oxamethane, sodium salt, sodium salt PubChem CID: 24212014 IUPAC Name: disodium;naphthalen-1-yl phosphate;hydrate SMILES: [Na+].[Na+].[O-]P([O-])(=O)OC1=C2C=CC=CC2=CC=C1

EDGE
PubChem CID 24212014
CAS 207569-06-0
Molecular Weight (g/mol) 268.12
MDL Number MFCD00041007
SMILES [Na+].[Na+].[O-]P([O-])(=O)OC1=C2C=CC=CC2=CC=C1
Synonym 1-naphthyl phosphate disodium salt hydrate,sodium naphthalen-1-yl phosphate hydrate,disodium 1-naphthyl phosphate hydrate,disodium hydrate naphthalen-1-yl phosphate,1-naphthyl phosphate sodium salt monohydrate,c10h7o4p.2na.h2o,1-naphthyl?phosphate?disodium?salt?hydrate,1-naphthyl phosphate disodium salt monohydrate,dihydrogen naphthyl phosphate, oxamethane, sodium salt, sodium salt
IUPAC Name disodium;naphthalen-1-yl phosphate;hydrate
InChI Key QYURIFWAOPAPAJ-UHFFFAOYSA-L
Molecular Formula C10H7Na2O4P
4

Triethyl phosphate, 99%

CAS: 78-40-0 Molecular Formula: C6H15O4P Molecular Weight (g/mol): 182.16 MDL Number: MFCD00009077 InChI Key: DQWPFSLDHJDLRL-UHFFFAOYSA-N Synonym: triethylphosphate,phosphoric acid, triethyl ester,tris ethyl phosphate,triethoxyphosphine oxide,triethylfosfat,ethyl phosphate eto 3po,triethylfosfat czech,ethyl phosphate van,unii-qih4k96k7j,phosphoric acid triethyl ester PubChem CID: 6535 ChEBI: CHEBI:45927 IUPAC Name: triethyl phosphate SMILES: CCOP(=O)(OCC)OCC

EDGE
PubChem CID 6535
CAS 78-40-0
Molecular Weight (g/mol) 182.16
ChEBI CHEBI:45927
MDL Number MFCD00009077
SMILES CCOP(=O)(OCC)OCC
Synonym triethylphosphate,phosphoric acid, triethyl ester,tris ethyl phosphate,triethoxyphosphine oxide,triethylfosfat,ethyl phosphate eto 3po,triethylfosfat czech,ethyl phosphate van,unii-qih4k96k7j,phosphoric acid triethyl ester
IUPAC Name triethyl phosphate
InChI Key DQWPFSLDHJDLRL-UHFFFAOYSA-N
Molecular Formula C6H15O4P
5

n-Butyl phosphate, mixture of mono-n-butyl and di-n-butyl

CAS: 52933-01-4 Molecular Formula: C4H11O4P Molecular Weight (g/mol): 154.102 MDL Number: MFCD00013947 InChI Key: BNMJSBUIDQYHIN-UHFFFAOYSA-N Synonym: n-butylphosphate,monobutyl phosphate,phosphoric acid, monobutyl ester,butyl diacid phosphate,n-butyl acid phosphate,butyl dibasic acid phosphate,unii-0i9w48e53l,butyl phosphate, buo ho 2po,mono-n-butylphosphoric acid,butoxyphosphonic acid PubChem CID: 15389 IUPAC Name: butyl dihydrogen phosphate SMILES: CCCCOP(=O)(O)O

PubChem CID 15389
CAS 52933-01-4
Molecular Weight (g/mol) 154.102
MDL Number MFCD00013947
SMILES CCCCOP(=O)(O)O
Synonym n-butylphosphate,monobutyl phosphate,phosphoric acid, monobutyl ester,butyl diacid phosphate,n-butyl acid phosphate,butyl dibasic acid phosphate,unii-0i9w48e53l,butyl phosphate, buo ho 2po,mono-n-butylphosphoric acid,butoxyphosphonic acid
IUPAC Name butyl dihydrogen phosphate
InChI Key BNMJSBUIDQYHIN-UHFFFAOYSA-N
Molecular Formula C4H11O4P
6

Bis(2-ethylhexyl) phosphate, 95%

CAS: 298-07-7 Molecular Formula: C16H35O4P Molecular Weight (g/mol): 322.43 MDL Number: MFCD00009492 InChI Key: SEGLCEQVOFDUPX-UHFFFAOYNA-N Synonym: bis 2-ethylhexyl hydrogen phosphate,bis 2-ethylhexyl phosphate,hdehp,di 2-ethylhexyl phosphate,dehpa extractant,di 2-ethylhexyl phosphoric acid,escaid 100,d 2ehpa,bis 2-ethylhexyl phosphoric acid PubChem CID: 9275 IUPAC Name: bis(2-ethylhexyl) hydrogen phosphate SMILES: CCCCC(CC)COP(O)(=O)OCC(CC)CCCC

PubChem CID 9275
CAS 298-07-7
Molecular Weight (g/mol) 322.43
MDL Number MFCD00009492
SMILES CCCCC(CC)COP(O)(=O)OCC(CC)CCCC
Synonym bis 2-ethylhexyl hydrogen phosphate,bis 2-ethylhexyl phosphate,hdehp,di 2-ethylhexyl phosphate,dehpa extractant,di 2-ethylhexyl phosphoric acid,escaid 100,d 2ehpa,bis 2-ethylhexyl phosphoric acid
IUPAC Name bis(2-ethylhexyl) hydrogen phosphate
InChI Key SEGLCEQVOFDUPX-UHFFFAOYNA-N
Molecular Formula C16H35O4P
7

Tri-n-hexyl phosphate, 90+%

CAS: 2528-39-4 Molecular Formula: C18H39O4P Molecular Weight (g/mol): 350.48 MDL Number: MFCD00015351 InChI Key: SFENPMLASUEABX-UHFFFAOYSA-N Synonym: phosphoric acid, trihexyl ester,tri-n-hexyl phosphate,tri n-hexyl phosphate,acmc-20aje0,aronis24109 PubChem CID: 75666 IUPAC Name: trihexyl phosphate SMILES: CCCCCCOP(=O)(OCCCCCC)OCCCCCC

PubChem CID 75666
CAS 2528-39-4
Molecular Weight (g/mol) 350.48
MDL Number MFCD00015351
SMILES CCCCCCOP(=O)(OCCCCCC)OCCCCCC
Synonym phosphoric acid, trihexyl ester,tri-n-hexyl phosphate,tri n-hexyl phosphate,acmc-20aje0,aronis24109
IUPAC Name trihexyl phosphate
InChI Key SFENPMLASUEABX-UHFFFAOYSA-N
Molecular Formula C18H39O4P
8

Phenyl phosphate disodium salt hydrate, 98%

CAS: 3279-54-7 Molecular Formula: C6H5Na2O4P Molecular Weight (g/mol): 218.06 MDL Number: MFCD00002133 InChI Key: TYJOJLOWRIQYQM-UHFFFAOYSA-L Synonym: disodium phenyl phosphate,phenyl phosphate disodium salt,disodium phenylphosphate,phenyldisodium phosphate,phosphoric acid, monophenyl ester, disodium salt,phenyl disodium orthophosphate,phenyl phosphate,phosphoric acid, monophenyl ester, sodium salt 1:2,disodium phenyl phosphate dihydrate,phenyl phosphate disodium salt dihydrate PubChem CID: 76771 IUPAC Name: disodium;phenyl phosphate SMILES: [Na+].[Na+].[O-]P([O-])(=O)OC1=CC=CC=C1

PubChem CID 76771
CAS 3279-54-7
Molecular Weight (g/mol) 218.06
MDL Number MFCD00002133
SMILES [Na+].[Na+].[O-]P([O-])(=O)OC1=CC=CC=C1
Synonym disodium phenyl phosphate,phenyl phosphate disodium salt,disodium phenylphosphate,phenyldisodium phosphate,phosphoric acid, monophenyl ester, disodium salt,phenyl disodium orthophosphate,phenyl phosphate,phosphoric acid, monophenyl ester, sodium salt 1:2,disodium phenyl phosphate dihydrate,phenyl phosphate disodium salt dihydrate
IUPAC Name disodium;phenyl phosphate
InChI Key TYJOJLOWRIQYQM-UHFFFAOYSA-L
Molecular Formula C6H5Na2O4P
9

Trioctyl phosphate

CAS: 78-42-2 Molecular Formula: C24H51O4P Molecular Weight (g/mol): 434.64 MDL Number: MFCD00009491 InChI Key: GTVWRXDRKAHEAD-UHFFFAOYNA-N Synonym: tris 2-ethylhexyl phosphate,disflamoll tof,flexol tof,phosphoric acid, tris 2-ethylhexyl ester,kronitex tof,flexol plasticizer tof,2-ethyl-1-hexanol phosphate,tris ethylhexyl phosphate,tri 2-ethylhexyl phosphate PubChem CID: 6537 IUPAC Name: tris(2-ethylhexyl) phosphate SMILES: CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC

PubChem CID 6537
CAS 78-42-2
Molecular Weight (g/mol) 434.64
MDL Number MFCD00009491
SMILES CCCCC(CC)COP(=O)(OCC(CC)CCCC)OCC(CC)CCCC
Synonym tris 2-ethylhexyl phosphate,disflamoll tof,flexol tof,phosphoric acid, tris 2-ethylhexyl ester,kronitex tof,flexol plasticizer tof,2-ethyl-1-hexanol phosphate,tris ethylhexyl phosphate,tri 2-ethylhexyl phosphate
IUPAC Name tris(2-ethylhexyl) phosphate
InChI Key GTVWRXDRKAHEAD-UHFFFAOYNA-N
Molecular Formula C24H51O4P
10

Thermo Scientific Chemicals Adenosine-5'-monophosphoric acid, 99% (dry wt.), water <6%

CAS: 61-19-8 Molecular Formula: C10H14N5O7P Molecular Weight (g/mol): 347.22 MDL Number: MFCD00005750 InChI Key: UDMBCSSLTHHNCD-YPLCUDRINA-N Synonym: adenosine 5'-monophosphate,5'-adenylic acid,adenosine monophosphate,adenosine phosphate,adenylic acid,adenylate,phosphaden,5'-amp,adenosine 5'-phosphate,phosphentaside PubChem CID: 6083 ChEBI: CHEBI:16027 IUPAC Name: [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate SMILES: NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1

PubChem CID 6083
CAS 61-19-8
Molecular Weight (g/mol) 347.22
ChEBI CHEBI:16027
MDL Number MFCD00005750
SMILES NC1=C2N=CN([C@@H]3O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC=N1
Synonym adenosine 5'-monophosphate,5'-adenylic acid,adenosine monophosphate,adenosine phosphate,adenylic acid,adenylate,phosphaden,5'-amp,adenosine 5'-phosphate,phosphentaside
IUPAC Name [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen phosphate
InChI Key UDMBCSSLTHHNCD-YPLCUDRINA-N
Molecular Formula C10H14N5O7P
11

1-Ethyl-3-methylimidazolium diethyl phosphate, 98%

CAS: 848641-69-0 Molecular Formula: C10H21N2O4P Molecular Weight (g/mol): 264.26 MDL Number: MFCD09953486 InChI Key: HQWOEDCLDNFWEV-UHFFFAOYSA-M Synonym: 1-ethyl-3-methylimidazolium diethyl phosphate,1-ethyl-3-methylimidazolium diethylphosphate,dsstox_cid_27865,dsstox_rid_82618,dsstox_gsid_47889,emim dep,basionics™ lq 11,1-ethyl-3-methylimidazolium-diethyl phosphate,1-ethyl-3-methylimidazolium diethyl phosphate hplc PubChem CID: 53316406 IUPAC Name: diethyl phosphate;1-ethyl-3-methylimidazol-3-ium SMILES: CCN1C=C[N+](C)=C1.CCOP([O-])(=O)OCC

PubChem CID 53316406
CAS 848641-69-0
Molecular Weight (g/mol) 264.26
MDL Number MFCD09953486
SMILES CCN1C=C[N+](C)=C1.CCOP([O-])(=O)OCC
Synonym 1-ethyl-3-methylimidazolium diethyl phosphate,1-ethyl-3-methylimidazolium diethylphosphate,dsstox_cid_27865,dsstox_rid_82618,dsstox_gsid_47889,emim dep,basionics™ lq 11,1-ethyl-3-methylimidazolium-diethyl phosphate,1-ethyl-3-methylimidazolium diethyl phosphate hplc
IUPAC Name diethyl phosphate;1-ethyl-3-methylimidazol-3-ium
InChI Key HQWOEDCLDNFWEV-UHFFFAOYSA-M
Molecular Formula C10H21N2O4P
12

1-Naphthyl phosphate, monosodium salt monohydrate, 98+%

CAS: 81012-89-7 Molecular Formula: C10H7O4P Molecular Weight (g/mol): 222.14 MDL Number: MFCD00150615 InChI Key: YNXICDMQCQPQEW-UHFFFAOYSA-L Synonym: 1-naphthyl phosphate monosodium salt monohydrate,sodium naphthalen-1-yl hydrogenphosphate hydrate,alpha-naphthyl acid phosphate monosodium,sodium hydrate naphthalen-1-yl hydrogen phosphate,1-naphthyl phosphate sodium salt monohydrate,c10h8po4.na.h2o,sodium 1-naphthyl phosphate monohydrate,1-naphthyl phosphate, monosodium salt monohydrate,naphthalen-1-yloxy sodiooxy phosphinic acid hydrate,1-naphthyl phosphate monosodium salt monohydrate hplc PubChem CID: 45055387 SMILES: [O-]P([O-])(=O)OC1=C2C=CC=CC2=CC=C1

PubChem CID 45055387
CAS 81012-89-7
Molecular Weight (g/mol) 222.14
MDL Number MFCD00150615
SMILES [O-]P([O-])(=O)OC1=C2C=CC=CC2=CC=C1
Synonym 1-naphthyl phosphate monosodium salt monohydrate,sodium naphthalen-1-yl hydrogenphosphate hydrate,alpha-naphthyl acid phosphate monosodium,sodium hydrate naphthalen-1-yl hydrogen phosphate,1-naphthyl phosphate sodium salt monohydrate,c10h8po4.na.h2o,sodium 1-naphthyl phosphate monohydrate,1-naphthyl phosphate, monosodium salt monohydrate,naphthalen-1-yloxy sodiooxy phosphinic acid hydrate,1-naphthyl phosphate monosodium salt monohydrate hplc
InChI Key YNXICDMQCQPQEW-UHFFFAOYSA-L
Molecular Formula C10H7O4P
13

Di-Beta,Beta'-Chloroethylphosphoric Acid, TRC

CAS: 3040-56-0 Molecular Formula: C4H9Cl2O4P Molecular Weight (g/mol): 222.99 Synonym: Ethanol, 2-chloro-, hydrogen phosphate (7CI, 8CI, 9CI),Bis(2-chloroethyl) hydrogen phosphate,Bis(2-chloroethyl) phosphate,Bis(chloroethyl) phosphate,Bis(β-chloroethyl) phosphate,Bis(β-chloroethyl) phosphoric acid,Di-2-Chloroethyl phosphate,Di-β,β'-Chloroethylphosphoric acid IUPAC Name: bis(2-chloroethyl) hydrogen phosphate SMILES: OP(=O)(OCCCl)OCCCl

CAS 3040-56-0
Molecular Weight (g/mol) 222.99
SMILES OP(=O)(OCCCl)OCCCl
Synonym Ethanol, 2-chloro-, hydrogen phosphate (7CI, 8CI, 9CI),Bis(2-chloroethyl) hydrogen phosphate,Bis(2-chloroethyl) phosphate,Bis(chloroethyl) phosphate,Bis(β-chloroethyl) phosphate,Bis(β-chloroethyl) phosphoric acid,Di-2-Chloroethyl phosphate,Di-β,β'-Chloroethylphosphoric acid
IUPAC Name bis(2-chloroethyl) hydrogen phosphate
Molecular Formula C4H9Cl2O4P
14

Mono[2-(perfluorohexyl)ethyl] phosphate, TRC

CAS: 57678-01-0 Molecular Formula: C8 H6 F13 O4 P Molecular Weight (g/mol): 444.08 Synonym: 6:2 monoPAP,3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-(dihydrogen phosphate)-1-octanol IUPAC Name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl dihydrogen phosphate SMILES: OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

CAS 57678-01-0
Molecular Weight (g/mol) 444.08
SMILES OP(=O)(O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
Synonym 6:2 monoPAP,3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-(dihydrogen phosphate)-1-octanol
IUPAC Name 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl dihydrogen phosphate
Molecular Formula C8 H6 F13 O4 P
15

Di-n-butyl phosphate, 96%, Thermo Scientific Chemicals

CAS: 107-66-4 Molecular Formula: C8H19O4P Molecular Weight (g/mol): 210.21 MDL Number: MFCD00015245 InChI Key: JYFHYPJRHGVZDY-UHFFFAOYSA-N Synonym: dibutyl phosphate,di-n-butyl phosphate,phosphoric acid, dibutyl ester,dibutyl acid phosphate,di-n-butylphosphoric acid,dp 4 coupling agent,di-n-butyl hydrogen phosphate,unii-0072nn74tn,phosphoric acid di-n-butyl ester,phosphoric acid dibutyl ester PubChem CID: 7881 SMILES: CCCCOP(O)(=O)OCCCC

PubChem CID 7881
CAS 107-66-4
Molecular Weight (g/mol) 210.21
MDL Number MFCD00015245
SMILES CCCCOP(O)(=O)OCCCC
Synonym dibutyl phosphate,di-n-butyl phosphate,phosphoric acid, dibutyl ester,dibutyl acid phosphate,di-n-butylphosphoric acid,dp 4 coupling agent,di-n-butyl hydrogen phosphate,unii-0072nn74tn,phosphoric acid di-n-butyl ester,phosphoric acid dibutyl ester
InChI Key JYFHYPJRHGVZDY-UHFFFAOYSA-N
Molecular Formula C8H19O4P