Tetraethyl p-Xylylenediphosphonate - CAS 4546-04-7
Catalog: |
BB025872 |
Product Name: |
Tetraethyl p-Xylylenediphosphonate |
CAS: |
4546-04-7 |
Synonyms: |
1,4-bis(diethoxyphosphorylmethyl)benzene; 1,4-bis(diethoxyphosphorylmethyl)benzene |
IUPAC Name: | 1,4-bis(diethoxyphosphorylmethyl)benzene |
Description: | Tetraethyl p-Xylylenediphosphonate (CAS# 4546-04-7) is a useful research chemical. |
Molecular Weight: | 378.34 |
Molecular Formula: | C16H28O6P2 |
Canonical SMILES: | CCOP(=O)(CC1=CC=C(C=C1)CP(=O)(OCC)OCC)OCC |
InChI: | InChI=1S/C16H28O6P2/c1-5-19-23(17,20-6-2)13-15-9-11-16(12-10-15)14-24(18,21-7-3)22-8-4/h9-12H,5-8,13-14H2,1-4H3 |
InChI Key: | XTKQUBKFKSHRPS-UHFFFAOYSA-N |
Boiling Point: | 220 °C / 7 mmHg |
Density: | 1.153 g/cm3 |
Solubility: | Water : Soluble |
Appearance: | White to off white powder |
MDL: | MFCD00671576 |
LogP: | 5.21880 |
GHS Hazard Statement: | H302 (83.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020036069-A1 | Novel compound, and composition for forming hole transporting layer for perovskite solar cells | 20180816 |
JP-WO2020036069-A1 | New compound and hole transport layer forming composition for perovskite solar cells | 20180816 |
US-2021319957-A1 | Novel compound, and composition for forming hole transporting layer for perovskite solar cells | 20180816 |
WO-2020017509-A1 | Electrically-conductive lubricant | 20180717 |
WO-2019238532-A1 | Optical data communication system comprising para-phenylenevinylenes and specific para-phenylenevinylenes | 20180611 |
Complexity: | 374 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 378.13611260 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 378.13611260 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 71.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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