Allyl cyanoacetate
Product Information
Molecular Formula
C6H7NO2
Molecular Weight
125.13
Description
Applications: Allyl Cyanoacetate is a useful research chemical.
Synonyms
prop-2-enyl 2-cyanoacetate
IUPAC Name
prop-2-enyl 2-cyanoacetate
SMILES
C=CCOC(=O)CC#N
InChI
InChI=1S/C6H7NO2/c1-2-5-9-6(8)3-4-7/h2H,1,3,5H2
InChI Key
WXKCRCGKCOKJEF-UHFFFAOYSA-N
Boiling Point
110 °C (20 mmHg)
Flash Point
235.4 °CF - closed cup
Purity
95 %
Density
1.065 g/cm3
Appearance
Liquid
Refractive Index
n20/D 1.443 (lit.)
LogP
0.62928
Safety Information
Hazards
H301:
Toxic if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Toxic if swallowed.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word
Danger
Computed Properties
XLogP3
0.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
4
Exact Mass
125.047678466 g/mol
Monoisotopic Mass
125.047678466 g/mol
Topological Polar Surface Area
50.1Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
154
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| CN-112662115-A | Rubber-based damping material and preparation method thereof | 2020-12-22 |
| DE-102020124036-A1 | Stabilizer system containing sulfide for thiol-ene and thiol-yne compositions | 2020-09-15 |
| WO-2022014591-A1 | Curable composition and cured body of same | 2020-07-17 |
| CN-113801187-A | Preparation and application of Michael acceptor type main protease inhibitor targeting novel coronavirus | 2020-06-12 |
| CN-111969245-A | High-safety solid electrolyte and preparation method and application thereof | 2020-04-17 |
| CN-111234505-A | Environment-friendly damping rubber plate and preparation method thereof | 2020-03-16 |
| WO-2021131961-A1 | Fluorine-containing ether compound, lubricant for magnetic recording medium, and magnetic recording medium | 2019-12-23 |
| WO-2021116128-A1 | Process for preparing cyanoacetates | 2019-12-12 |
| WO-2021059160-A1 | Process for preparing 5-(fluoro-4-imino-3-methyl)-1-tosyl-3,4 dihydropyrimidine -(1h)-one | 2019-09-23 |
| US-2021047257-A1 | Process for preparing azelaic acid | 2019-08-12 |
