ETHYL CYANOACETATE 98% For Synthesis

Name: ETHYL CYANOACETATE 98% For Synthesis
Brand: Chempure

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CAS Number

105-56-6

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IUPAC name	ethyl 2-cyanoacetate
canonical smiles	CCOC(=O)CC#N
inchi	InChI=1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3
inchi key	ZIUSEGSNTOUIPT-UHFFFAOYSA-N
molecular formula	C5H7NO2
synonyms	ETHYL CYANOACETATE 105-56-6 Ethyl 2-cyanoacetate Ethyl cyanacetate Cyanoacetic ester
Compound Description	Ethyl cyanoacetate appears as a colorless liquid. Denser than water. Contact may irritate skin, eyes and mucous membranes. May be toxic by ingestion. Used to make other chemicals. Ethyl cyanoacetate is a chemical compound of cyanide.

Computed Properties

Molecular Weight:	113.11 g/mol
XLogP3:	0.4
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	3
Rotatable Bond Count:	3
Exact Mass:	113.047678466 g/mol
Monoisotopic Mass:	113.047678466 g/mol
Topological Polar Surface Area:	50.1 Å²
Heavy Atom Count:	8
Formal Charge:	0
Complexity:	122
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (84.85%) Acute Tox. 4 (89.39%) Eye Irrit. 2A (13.64%) Acute Tox. 4 (87.88%) Reactive - 1st degree
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P337+P317, P362+P364, and P501
hazard statements	H302 (84.85%): Harmful if swallowed [Warning Acute toxicity, oral] H312 (89.39%): Harmful in contact with skin [Warning Acute toxicity, dermal] H319 (13.64%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (87.88%): Harmful if inhaled [Warning Acute toxicity, inhalation]
hazards summary	A lachrymator. An irritant.

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

Product No: EE3419

ETHYL CYANOACETATE 98% For Synthesis

Product No: EE3419

About this item

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CHEMICAL AND PHYSICAL PROPERTIES

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Certificate of Analysis

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Product No: EE3419

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?