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CAS 9003-17-2 POLYBUTADIENE DIACRYLATE molecular structure lightbox
CAS RN: 9003-17-2

POLYBUTADIENE DIACRYLATE

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Batchno.20250805 500g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS9003-17-2
  • Purity/Analytical Methods: >99.0%
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9003-17-2 / buta-1,3-diene

Standard CAS: 9003-17-2 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
9003-17-2
Multi CAS
Yes
Molecular Formula
C4H6
Molecular Weight
54.090000
Exact Mass
54.046950
InChI
InChI=1S/C4H6/c1-3-4-2/h3-4H,1-2H2
InChIKey
KAKZBPTYRLMSJV-UHFFFAOYSA-N

Physical Properties

Melting Point
-164 °F (NTP, 1992) -108.966 °C -108.9 °C -109 °C -164 °F
Boiling Point
24.1 °F at 760 mmHg (NTP, 1992) -4.5 °C -4 °C 24 °F
Density
0.621 at 68 °F (USCG, 1999) - Less dense than water; will float 0.6149 g/cu cm at 25 °C Absolute density, gas at 101.325 kPa at 0 °C: 2.428 kg/cu m; Relative density, gas at 101.325 kPa at 0 °C (air = 1): 1.878; Density, liquid at saturation pressure at 20 °C: 0.621 kg/l; Critical density: 0.245 kg/cu m Relative density (water = 1): 0.6 0.621 at 68 °F
Physical Description
Butadiene is a colorless gas with an aromatic odor. It is shipped as a liquefied gas under its vapor pressure. Contact with the liquid can cause frostbite. It is easily ignited. Its vapors are heavier than air and a flame can flash back to the source of leak very easily. It can asphyxiate by the displacement of air. It must be shipped inhibited as butadiene is liable to polymerization. If polymerization occurs in the container, it may violently rupture. Under prolonged exposure to fire or intense heat the containers may rupture violently and rocket. It is used to make synthetic rubber and plastics, and to make other chemicals. Gas or Vapor; Liquid Colorless gas with a mild aromatic or gasoline-like odor. [Note: A liquid below 24 degrees F. Shipped as a liquefied compressed gas.] Vapor density = 1.87 (heavier than air); [HSDB] Liquid COLOURLESS COMPRESSED LIQUEFIED GAS WITH CHARACTERISTIC ODOUR.
Appearance
Colorless gas ... [Note: A liquid below 24 degrees F. Shipped as a liquefied compressed gas]
State
Gas

Computed Properties

Structural Parameters

Heavy atom count
4
Rotatable bonds
1
Molar refractivity
20.39
TPSA
0.0000

LogP / Solubility

WLOGP
1.36
MLOGP
1.18
XLogP3
2
Consensus LogP
1.51
Log S (ESOL)
-0.97
Class (ESOL)
Very soluble
Log S (Ali)
-0.98
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.26
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)
-2.09

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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