Diethyl allylphosphonate - CAS 1067-87-4
Catalog: |
BB043350 |
Product Name: |
Diethyl allylphosphonate |
CAS: |
1067-87-4 |
Synonyms: |
3-Diethoxyphosphorylprop-1-ene; Phosphonic acid, 2-propenyl-, diethyl ester; ACMC-1BPRN; 2-Propenyl-phosphonic acid diethyl ester; Allylphosphonic acid diethyl; Diethyl (prop-2-en-1-yl)phosphonate; AKOS003600270; Phosphonic acid,P-2-propen-1-yl-, diethyl ester |
IUPAC Name: | 3-diethoxyphosphorylprop-1-ene |
Description: | Diethyl allylphosphonate (CAS# 1067-87-4 ) is a useful research chemical. |
Molecular Weight: | 178.17 |
Molecular Formula: | C7H15O3P |
Canonical SMILES: | CCOP(=O)(CC=C)OCC |
InChI: | InChI=1S/C7H15O3P/c1-4-7-11(8,9-5-2)10-6-3/h4H,1,5-7H2,2-3H3 |
InChI Key: | YPJHXRAHMUKXAE-UHFFFAOYSA-N |
Boiling Point: | 46 °C0.35 mmHg (lit.) |
Flash Point: | 106 °C |
Purity: | 95 % |
Density: | 1.035 g/cm3 |
Appearance: | Clear colorless liquid |
Refractive Index: | 1.43 |
Precautionary Statement: | P264: Wash thoroughly after handling. P280: Wear protective gloves/protective clothing/eye protection/face protection. P302+P352: IF ON SKIN: Wash with plenty of soap and water. P332+P313: If skin irritation occurs: Get medical advice/attention. P337+P313: If eye irritation persists: Get medical advice/attention. P362+P364: Take off contaminated clothing. [As modified by IV ATP]. And wash it before reuse. [Added by IV ATP]. |
Complexity: | 146 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.07588133 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.07588133 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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