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CAS 25014-41-9 Polyacrylonitrile molecular structure lightbox
CAS RN: 25014-41-9

Polyacrylonitrile

  • Product code: SSC-120392
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 25g, 100g, 1000g, 500g
  • Available purity: >98%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 25014-41-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >98% 5 In Stock Shenzhen Inquiry
100g >98% 5 In Stock Shenzhen Inquiry
1000g >98% 4 In Stock Beijing Inquiry
500g >98% 3 In Stock Hong Kong Inquiry

25014-41-9 / prop-2-enenitrile

Standard CAS: 25014-41-9 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
25014-41-9
Multi CAS
Yes
Molecular Formula
C3H3N
Molecular Weight
53.060000
Exact Mass
53.026549
InChI
InChI=1S/C3H3N/c1-2-3-4/h2H,1H2
InChIKey
NLHHRLWOUZZQLW-UHFFFAOYSA-N

Physical Properties

Melting Point
-116 °F (EPA, 1998) -83.51 °C -84 °C -116 °F
Boiling Point
171 °F at 760 mmHg (EPA, 1998) 77.2 °C 77 °C 171 °F
Density
0.8004 at 77 °F (EPA, 1998) - Less dense than water; will float 0.8007 at 25 °C Relative density (water = 1): 0.8 0.81
Physical Description
Acrylonitrile, stabilized appears as a clear colorless liquid with a strong pungent odor. Flash point 32 °F. Prolonged exposure to the vapors or skin contact harmful. Density 6.7 lb / gal. Vapors heavier than air. Combustion produces toxic oxides of nitrogen. Requires storage and handling in closed systems. Used in insecticides and to make plastics, fibers and other chemicals. Rate of onset: Immediate Persistence: Minutes to hours Odor threshold: 17 ppm Source/use/other hazard: Plastics, coatings, adhesives industries; dyes; pharmaceuticals; flam gas. Liquid; Pellets or Large Crystals Colorless to pale-yellow liquid with an unpleasant odor. [Note: Odor can only be detected above the PEL.]; [NIOSH] COLOURLESS OR PALE YELLOW LIQUID WITH PUNGENT ODOUR. Colorless to pale-yellow liquid with an unpleasant odor.
Appearance
Clear, colorless liquid at room temperature Colorless to pale-yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
4
H-bond acceptors
1
Molar refractivity
15.81
TPSA
23.79

LogP / Solubility

WLOGP
0.7
MLOGP
0.59
XLogP3
0.2
Consensus LogP
0.5
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.5
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.58
Class (SILICOS-IT)
Very 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)
-2.55

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

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