Allyl chloroacetate

Product Information

Molecular Formula:
C5H7ClO2
Molecular Weight:
134.56
Description
Allyl chloroacetate (CAS# 2916-14-5 ) is a useful research chemical.
Synonyms
Acetic acid, chloro-, 2-propenyl ester; Acetic acid, chloro-, allyl ester; ALLYL CHLOROACETATE; ALLYL-(CHLORACETAT); CHLOROACETIC ACID ALLYL ESTER; Allyl chloroacetate, 98 %; Prop-2-enyl 2-chloroacetate; Chloroacetic acid 2-propenyl ester
IUPAC Name
prop-2-enyl 2-chloroacetate
Canonical SMILES
C=CCOC(=O)CCl
InChI
InChI=1S/C5H7ClO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2
InChI Key
VMBJJCDVORDOCF-UHFFFAOYSA-N
Boiling Point
164 °C (265 mmHg)
Flash Point
61 °C
Purity
98 %
Density
1.159 g/cm3
Appearance
Colorless liquid
Storage
Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.
Refractive Index
n20/D 1.446 (lit.)

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
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].
Signal Word
Warning

Computed Properties

XLogP3
1.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
4
Exact Mass
134.0134572 g/mol
Monoisotopic Mass
134.0134572 g/mol
Topological Polar Surface Area
26.3Ų
Heavy Atom Count
8
Formal Charge
0
Complexity
90.4
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

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The molarity calculator equation

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

The dilution calculator equation

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

This equation is commonly abbreviated as: C1V1 = C2V2

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