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Molecule
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 Mass
- 125.13 g/mol
Identifiers
CAS Registry Number
7085-85-0
SMILES
C=C(C#N)C(=O)OCC
InChI Key
FGBJXOREULPLGL-UHFFFAOYSA-N
InChI
InChI=1S/C6H7NO2/c1-3-9-6(8)5(2)4-7/h2-3H2,1H3
Names and Synonyms
- Ethyl Cyanoacrylate Common Name
- EZ 300 Synonym
- 2-Propenoic acid, 2-cyano-, ethyl ester Synonym
- Acrylic acid, 2-cyano-, ethyl ester Synonym
- Ethyl α-cyanoacrylate Synonym
- Ethyl 2-cyanoacrylate Synonym
- Ethyl cyanoacrylate Synonym
- N 135 Synonym
- 910EM Synonym
- DA 737S Synonym
- Cyanobond W 300 Synonym
- Cemedine 3000RP Synonym
- Cemedine 3000RP Type-II Synonym
- Cemedine 3000RS Synonym
- Cemedine 3000RS Type-II Synonym
- Adhesive 502 Synonym
- Cyanobond W 100 Synonym
- PTR-E 3 Synonym
- PTR-E 40 Synonym
- Super 3-1000 Synonym
- CN 2 Synonym
- ACE-EE Synonym
- ACE-E 50 Synonym
- CN 4 Synonym
- CA 3 (adhesive) Synonym
- CA 3 Synonym
- CA 8-3A Synonym
- Cyanon 5MSP Synonym
- Super Glue Synonym
- Aron Alpha D Synonym
- Black Max Synonym
- TK 200 Synonym
- TK 201 Synonym
- Aron Alpha 402X Synonym
- Cyanon S Synonym
- Sicomet 8400 Synonym
- Super Bonder 498 Synonym
- N 135 (acrylate) Synonym
- TB 1741 Synonym
- Three Bond 1741 Synonym
- 2-Cyanoacrylic acid ethyl ester Synonym
- TB 1743 Synonym
- Three Bond 1743 Synonym
- Cyanobond RP-X Synonym
- Sicomet Smart Power 100 Synonym
- Diabond 8200 Synonym
- TK 200 (adhesive) Synonym
- Sicomet 5195 Synonym
- QX 4 Synonym
- RP-QS Synonym
- Anacure 3020 Synonym
- 2-Cyano-2-propenoic acid ethyl ester Synonym
- Cyanon SL Synonym
- Loctite E 406 Synonym
- E 50 Synonym
- Phyx-All Synonym
- Loctite 409 Synonym
- Loctite 409 Super Bonder Synonym
- Sicomet 40 Synonym
- Epiglue Synonym
- Cyanobloom Synonym
- Loctite 4305 Synonym
- Three Bond 1771E Synonym
- Loctite 4304 Synonym
- Three Bond 1773E Synonym
- Three Bond 3056F Synonym
- Loctite Super Glue Synonym
- Ethyl 2-cyanopropenoate Synonym
- Loctite 454 Synonym
- Loctite 406 Synonym
- Bostik Super Glue Synonym
- EC 5 clear Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 125.13 g/mol | CAS Common Chemistry |
| 125.12699999999998 g/mol | RDKit | |
| 125.127 g/mol | RDKit | |
| Density | 1.06 g/cm³ | CAS Common Chemistry |
| 1.0565 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Ethyl_cyanoacrylate | CAS Common Chemistry |
| Boiling Point | 54-56 °C | CAS Common Chemistry |
| Canonical SMILES | N#CC(=C)C(=O)OCC | CAS Common Chemistry |
| InChI | InChI=1S/C6H7NO2/c1-3-9-6(8)5(2)4-7/h2-3H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FGBJXOREULPLGL-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Ethyl cyanoacrylate | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 50.09 Ų | RDKit |
| LogP | 0.62928 | RDKit |
| 0.6293 | RDKit | |
| Molar Refractivity | 31.385999999999992 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 125.047678464 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 125.13 g/mol; density = 1.060 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C6H7NO2.
