CAS RN: 814-68-6
Acryloyl Chloride (stabilized with Phenothiazine)
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
- Product code: ICTA0147
- Purity/Analytical Methods: >98.0%(GC)
814-68-6 / prop-2-enoyl chloride
Basic Information
CAS
814-68-6
Multi CAS
No
Molecular Formula
C3H3CLO
Molecular Weight
90.510000
Exact Mass
89.987242
InChI
InChI=1S/C3H3ClO/c1-2-3(4)5/h2H,1H2
InChIKey
HFBMWMNUJJDEQZ-UHFFFAOYSA-N
Physical Properties
Boiling Point
167 °F at 760 mmHg (EPA, 1998)
75.5 °C
Density
1.1136 at 68 °F (EPA, 1998) - Denser than water; will sink
1.1136 g/cu cm at 20 °C
Physical Description
Acrylyl chloride appears as a liquid. Boiling point 75 °C. Used to make plastics. Polymerization in a closed container can cause pressurization and explosive rupture. (EPA, 1998)
Liquid; [HSDB] Clear, slightly yellow liquid
Appearance
Liquid
Light yellow liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
5
Rotatable bonds
1
H-bond acceptors
1
Molar refractivity
21.06
TPSA
17.07
LogP / Solubility
WLOGP
0.94
MLOGP
0.81
XLogP3
1.4
Consensus LogP
1.05
Log S (ESOL)
-0.93
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.15
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1
Customers Also Viewed
-
-
-
-
-
N,N,N’,N’-Tetramethylmalonamide
- CAS RN: 7313-22-6
- Product Code: ICTT1891
- Purity/Analytical method: >97.0%(GC)
-
