Ethyl 2-Cyanopropanoate - CAS 1572-99-2
Catalog: |
BB011306 |
Product Name: |
Ethyl 2-Cyanopropanoate |
CAS: |
1572-99-2 |
Synonyms: |
2-cyanopropanoic acid ethyl ester; ethyl 2-cyanopropanoate |
IUPAC Name: | ethyl 2-cyanopropanoate |
Description: | Ethyl 2-Cyanopropanoate (CAS# 1572-99-2) is a building block used in many organic reactions such as the preparation of highly substituted benzenes. |
Molecular Weight: | 127.14 |
Molecular Formula: | C6H9NO2 |
Canonical SMILES: | CCOC(=O)C(C)C#N |
InChI: | InChI=1S/C6H9NO2/c1-3-9-6(8)5(2)4-7/h5H,3H2,1-2H3 |
InChI Key: | MIHRVXYXORIINI-UHFFFAOYSA-N |
Boiling Point: | 194.5 °C at 760 mmHg |
Density: | 1.01 g/cm3 |
LogP: | 0.70918 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P302+P352, P305+P351+P338, P321, P330, P332+P313, P337+P313, P362, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021173523-A1 | Hot melt extruded solid dispersions containing a bcl2 inhibitor | 20200224 |
EP-3858439-A1 | Amide derivatives having multimodal activity against pain | 20200203 |
WO-2021139794-A1 | Crystal form of pyrrolidinyl urea derivative and application thereof | 20200110 |
WO-2021139795-A1 | Method for preparing pyrrolidinyl urea derivative | 20200110 |
JP-2021095364-A | Azinylazole compound and pest control agent (1) | 20191217 |
PMID | Publication Date | Title | Journal |
21691647 | 20110921 | Neutral and cationic chiral NCN pincer nickel(II) complexes with 1,3-bis(2'-imidazolinyl)benzenes: synthesis and characterization | Dalton transactions (Cambridge, England : 2003) |
12698433 | 20030414 | Double bonds in motion: bis(oxazolinylmethyl)pyrroles and their metal-induced planarization to a new class of rigid chiral C2-symmetric complexes | Chemistry (Weinheim an der Bergstrasse, Germany) |
12636394 | 20030321 | Palladium-catalyzed hydrocarbonation and hydroamination of 3,3-dihexylcyclopropene with pronucleophiles | The Journal of organic chemistry |
Complexity: | 144 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 127.063328530 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 127.063328530 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 50.1 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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