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Ethyl Cyanoacrylate
CAS: 7085-85-0 | C6H7NO2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7085-85-0
Molecular Formula:
C6H7NO2
Molecular Weight:
125.12699999999998 g/mol
Names and Synonyms:
Ethyl Cyanoacrylate
EC 5 clear
Bostik Super Glue
Loctite 406
EZ 300
Loctite 454
Ethyl 2-cyanopropenoate
Loctite Super Glue
Three Bond 3056F
Three Bond 1773E
Loctite 4304
Three Bond 1771E
Loctite 4305
Cyanobloom
Epiglue
Sicomet 40
Loctite 409 Super Bonder
Loctite 409
Phyx-All
E 50
Loctite E 406
Cyanon SL
2-Cyano-2-propenoic acid ethyl ester
Anacure 3020
RP-QS
QX 4
Sicomet 5195
TK 200 (adhesive)
Diabond 8200
Sicomet Smart Power 100
Cyanobond RP-X
Three Bond 1743
TB 1743
2-Cyanoacrylic acid ethyl ester
Three Bond 1741
TB 1741
N 135 (acrylate)
Super Bonder 498
Sicomet 8400
Cyanon S
Aron Alpha 402X
TK 201
TK 200
Black Max
Aron Alpha D
Super Glue
Cyanon 5MSP
CA 8-3A
CA 3
CA 3 (adhesive)
CN 4
ACE-E 50
ACE-EE
CN 2
Super 3-1000
PTR-E 40
PTR-E 3
Cyanobond W 100
Adhesive 502
Cemedine 3000RS Type-II
Cemedine 3000RS
Cemedine 3000RP Type-II
Cemedine 3000RP
Cyanobond W 300
DA 737S
910EM
N 135
Ethyl cyanoacrylate
Ethyl 2-cyanoacrylate
Ethyl α-cyanoacrylate
Acrylic acid, 2-cyano-, ethyl ester
2-Propenoic acid, 2-cyano-, ethyl ester
Identifiers:
SMILES:
C=C(C#N)C(=O)OCC
InChI:
InChI=1S/C6H7NO2/c1-3-9-6(8)5(2)4-7/h2-3H2,1H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 125.12699999999998 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 125.047678464 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 50.09 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 0.62928 | RDKit |
| molecular_mass | 125.13 g/mol | Legacy Database |
| density | 1.06 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Ethyl_cyanoacrylate None | Legacy Database |
| cas-boiling-point | 54-56 °C None | Legacy Database |
| cas-canonical-smile | N#CC(=C)C(=O)OCC None | Legacy Database |
| cas-density | 1.0565 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C6H7NO2/c1-3-9-6(8)5(2)4-7/h2-3H2,1H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FGBJXOREULPLGL-UHFFFAOYSA-N None | Legacy Database |
| cas-name | Ethyl cyanoacrylate None | Legacy Database |
| wikipedia-name | Ethyl cyanoacrylate None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 31.385999999999992 | RDKit |
