Tris(2-carboxyethyl)phosphine

HCID 119411

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Grundinformationen

CAS: 5961-85-3
Standard-SMILES: O=C(O)CCP(CCC(=O)O)CCC(=O)O
InChIKey: PZBFGYYEXUXCOF-UHFFFAOYSA-N
Summenformel: C9H15O6P
Durchschnittliche Molmasse: 250,19 g/mol
Monoisotopische Masse: 250,06062483

Überblick

TCEP is a tertiary phosphine in which phosphane is substituted with three 2-carboxyethyl groups. It is a commonly used reducing agent. It has a role as a reducing agent. It is a tricarboxylic acid and a phosphine derivative.

Namen und Bezeichner

Bevorzugter Name: Tris(2-carboxyethyl)phosphine
IUPAC: 3-[bis(2-carboxyethyl)phosphanyl]propanoic acid
Englischer Name: tris(2-carboxyethyl)phosphine
Summenformel: C9H15O6P
Molmasse: 250.19

Namen und Synonyme

Tris(2-carboxyethyl)phosphine5961-85-3TCEP3-[bis(2-carboxyethyl)phosphanyl]propanoic acid3,3',3''-Phosphinidynetrispropanoic acid22OAC2MO2SPropanoic acid, 3,3',3''-phosphinidynetris-CHEBI:63213DTXSID902082903-(bis(2-carboxyethyl)phosphanyl)propanoic acidRefChem:192078DTXCID10130781

Weitere Namen anzeigen

TIANFUCHEM--5961-85-3---tris(2-carboxyethyl)phosphine3,3',3''-Phosphinetriyltripropanoic acid , 0.5M in H2O2,4-Dichlorobenzyl Alcohol Impurity 25 (2,5-Dichlorobenzyl Chloride)

3,3',3''-phosphinetriyltripropanoic acidMFCD120684463,3',3''-Phosphanetriyltripropanoic Acid3,3',3''-phosphanetriyltripropionic acid3,3',3''-phosphinylidynetrisPropanoic acidTCEP Solution115290-70-5CHEMBL2047686

Datenbank-Bezeichner

CAS: 5961-85-3
PubChem CID: 119411
DTXSID: DTXSID90208290
ChEMBL: CHEMBL171512、CHEMBL2047686
ChEBI: CHEBI:63213
UNII: 22OAC2MO2S
Nikkaji: J402.328E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,6
Polarare Oberfläche (TPSA): 112 Å²
H-Brücken-Donoren: 3
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 9
Schwere Atome: 16
Formalladung: 0
Komplexität: 222

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound

Collision Cross Section149.1 Å² [M-H]-

Physikochemische Eigenschaften

Siedepunkt: 193 · 193-194 °C(Press: 1 Torr)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
pka: 4.05 · 4.05±0.10(Predicted)

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 1 Eintrag

Substances used for the detection, identification, analysis, etc. of chemical, biological, or pathologic processes or conditions. Indicators are substances that change in physical appearance, e.g., color, at or approaching the endpoint of a chemical titration, e.g., on the passage between acidity and alkalinity. Reagents are substances used for the detection or determination of another substance by chemical or microscopical means, especially analysis. Types of reagents are precipitants, solvents, oxidizers, reducers, fluxes, and colorimetric reagents. (From Grant & Hackh's Chemical Dictionary, 5th ed, p301, p499)