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CAS 106-71-8 2-Cyanoethyl Acrylate (stabilized with MEHQ) molecular structure lightbox
CAS RN: 106-71-8

2-Cyanoethyl Acrylate (stabilized with MEHQ)

  • Product code: SSC-007657
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 5g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 106-71-8
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Shanghai Inquiry

106-71-8 / 2-cyanoethyl prop-2-enoate

2-CYANOETHYL ACRYLATE | 2-cyanoethyl prop-2-enoate | Cyanoethyl acrylate

Standard CAS: 106-71-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
106-71-8
Multi CAS
Yes
Molecular Formula
C6H7NO2
Molecular Weight
125.130000
Exact Mass
125.047678
SMILES
C=CC(=O)OCCC#N
InChI
InChI=1S/C6H7NO2/c1-2-6(8)9-5-3-4-7/h2H,1,3,5H2
InChIKey
AEPWOCLBLLCOGZ-UHFFFAOYSA-N
Synonyms
2-CYANOETHYL ACRYLATE 2-cyanoethyl prop-2-enoate Cyanoethyl acrylate 2-Cyanoethyl propenoate beta-cyanoethyl acrylate

Physical Properties

Melting Point
Freezing point: -16.9 °C
Density
2.069
Physical Description
Colorless liquid; [CHEMINFO]
Appearance
Liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
Molar refractivity
31.39
TPSA
50.09

LogP / Solubility

WLOGP
0.63
MLOGP
0.54
XLogP3
0.6
Consensus LogP
0.59
Log S (ESOL)
-0.81
Class (ESOL)
Very soluble
Log S (Ali)
-1.04
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.04

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
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (18.8%): Toxic if swallowed [Danger Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (87.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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