2-Isocyanatoethyl Acrylate

Inquiry

Molecular Formula:

C6H7NO3

Molecular Weight:

141.12

CAS Number:

13641-96-8

Catalog Number:

13641-96-8

Product Information

Molecular Formula:

C6H7NO3

Molecular Weight:

141.12

Description

2-Isocyanatoethyl Acrylate is a chemical compound utilized in the biomedicine industry. It has potential applications in the development of targeted drug delivery systems for the treatment of various diseases. This compound can be used to create polymer hydrogels or coatings for drug encapsulation, improving the stability and controlled release of therapeutic agents.

Synonyms

2-Isocyanatoethyl acrylate; 2-Propenoic acid 2-isocyanatoethyl ester

IUPAC Name

2-isocyanatoethyl prop-2-enoate

Canonical SMILES

C=CC(=O)OCCN=C=O

InChI

InChI=1S/C6H7NO3/c1-2-6(9)10-4-3-7-5-8/h2H,1,3-4H2

InChI Key

DPNXHTDWGGVXID-UHFFFAOYSA-N

Boiling Point

200°C at 760mmHg

Melting Point

-25 °C

Flash Point

97 °C

Purity

95%

Density

1.05

Appearance

Colorless to Almost colorless clear liquid

Storage

0-10°C

Safety Information

Hazards

H301+H331:
Toxic if swallowed.
Toxic if inhaled.
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
H335:
May cause respiratory irritation.

Precautionary Statement

P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P301+P310+P330:
IF SWALLOWED:
Immediately call a POISON CENTER or doctor/physician.
Rinse mouth.
P304+P340+P311:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
Call a POISON CENTER or doctor/physician.
P403+P233:
Store in a well ventilated place.
Keep container tightly closed.

Computed Properties

XLogP3

1.5

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

141.042593085 g/mol

Monoisotopic Mass

141.042593085 g/mol

Topological Polar Surface Area

55.7Å²

Heavy Atom Count

Formal Charge

Complexity

170

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
JP-2022040149-A	Adhesive composition and laminated film using it	2021-12-21
CN-114015388-A	Hydroxyl-containing viscose reducing agent composition and preparation method and application thereof	2021-12-20
JP-2022040133-A	A photosensitive coloring composition for a color filter for a solid-state image sensor, a color filter, and a solid-state image sensor using the same.	2021-12-15
CN-114085165-A	alpha-H-containing cyano modified acrylate resin and preparation method and application thereof	2021-11-25
JP-2022036986-A	Infrared light transmission type composition	2021-11-22
CN-114058273-A	Resin-based film, adhesive tape and method for preparing conductive pole piece by using adhesive tape	2021-11-08
JP-2022008395-A	Red coloring composition for organic EL display device, color filter for organic EL display device and organic EL display device	2021-09-14
CN-113861457-A	Method for welding cross-linked polymer parts	2021-09-07
CN-113831706-A	High-toughness polycaprolactone remodelable shape memory material and preparation method thereof	2021-08-19
CN-113583620-A	UV curing adhesive with excellent adhesive force and preparation method thereof	2021-08-12

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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