[email protected]
CAS 137-05-3 CYANOACRYLIC ACID METHYL ESTER molecular structure lightbox
CAS RN: 137-05-3

CYANOACRYLIC ACID METHYL ESTER

  • Product code: SSC-046489
GET A QUOTE
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: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
Request Bulk Quote

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 137-05-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

137-05-3 / methyl 2-cyanoprop-2-enoate

Standard CAS: 137-05-3 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
137-05-3
Multi CAS
No
Molecular Formula
C5H5NO2
Molecular Weight
111.100000
Exact Mass
111.032028
SMILES
COC(=O)C(=C)C#N
InChI
InChI=1S/C5H5NO2/c1-4(3-6)5(7)8-2/h1H2,2H3
InChIKey
MWCLLHOVUTZFKS-UHFFFAOYSA-N

Physical Properties

Melting Point
-40 °C
Boiling Point
117 to 120 °F at 1.8 mmHg (NTP, 1992) 47 °C at 2 mm Hg BP: 47-49 °C (0.33-0.36 kPa) 66 °C 117-120 °F at 1.8 mmHg
Density
1.1044 at 81 °F (NTP, 1992) - Denser than water; will sink 1.1012 g/cu cm at 20 °C Relative density (water = 1): 1.1 1.1044 at 81 °F (81 °F): 1.10
Physical Description
Methyl 2-cyanoacrylate is a clear slightly yellow liquid. (NTP, 1992) Clear, colorless liquid with irritating, acrid odor; [ACGIH] COLOURLESS LIQUID. Clear to slightly yellow liquid with a characteristic odor. Colorless liquid with a characteristic odor.
Appearance
Clear, colorless liquid Thick liquid
State
Liquid
Storage Conditions
STORAGE PRECAUTIONS: You should store this material in a refrigerator. (NTP, 1992) Separated from incompatible materials. See Chemical Dangers. Well closed. Store only if stabilized.

Computed Properties

Structural Parameters

Heavy atom count
8
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
26.77
TPSA
50.09

LogP / Solubility

WLOGP
0.24
MLOGP
0.2
XLogP3
0.6
Consensus LogP
0.35
Log S (ESOL)
-0.61
Class (ESOL)
Very soluble
Log S (Ali)
-0.64
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.7
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)
-3.23

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)
Irritant Health Hazard Acute Toxic
Signal
Warning Danger
GHS Hazard Statements
H315: Causes skin irritation [Warning Skin corrosion/irritation] H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, and P501 P210, P260, P261, P264+P265, P271, P280, P284, P304+P340, P305+P351+P338, P316, P319, P320, P337+P317, P370+P378, P403, P403+P233, P405, and P501 P210, P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P370+P378, P403, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us