Ethyl 1-cyano-1-cyclopropanecarboxylate - ≥97% , CAS No.1558-81-2

CAS: 1558-81-2 Cat. No.: E342572 Molecular Weight: 139.16 EC Number: 670-511-7

COA

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Ethyl 1-cyano-1-cyclopropanecarboxylate - ≥97% CAS No(1558-81-2) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥97%

Synonyms

Ethyl 1-cyano-1-cyclopropanecarboxylate, 96% | Z1203161937 | FDZLCIITHLSEQK-UHFFFAOYSA-N | J-520532 | Ethyl 1-cyano-1-cyclopropanecarboxylate | J-009254 | AM84510 | NCI60_023177 | NSC666530 | NSC-666530 | Ethyl1-cyanocyclopropane-1-carboxylate | 1-cyano-c

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Associated Targets(Human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Product Describtion:

Ethyl 1-cyano-1-cyclopropanecarboxylate (ethyl 1-cyanocyclopropanecarboxylate) is an alkyl 1-cyanocyclopanecarboxylate. It can be prepared by reacting ethyl cyanoacetate, 1,2-dibromoethane, potassium carbonate and DMSO.

Product Application:

Ethyl 1-cyano-1-cyclopropanecarboxylate may be used as a monomer in the preparation of poly(ethyl trimethylene-1-cyano-1-carboxylate)s.

Specifications

Synonyms

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

Pubchem Sid	504758611
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504758611
Canonical Smiles	CCOC(=O)C1(CC1)C#N
IUPAC Name	ethyl 1-cyanocyclopropane-1-carboxylate
InChIKey	FDZLCIITHLSEQK-UHFFFAOYSA-N
INCHI	1S/C7H9NO2/c1-2-10-6(9)7(5-8)3-4-7/h2-4H2,1H3
Isomeric SMILES	CCOC(=O)C1(CC1)C#N
WGK Germany	WGK 3
Molecular Weight	139.16
Reaxy-Rn	2085687
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2085687&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Cyclopropanecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Cyclopropanecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Cyclopropanecarboxylic acids and derivatives
Alternative Parents	Carboxylic acid esters Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Cyclopropanecarboxylic acid or derivatives - Carboxylic acid ester - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as cyclopropanecarboxylic acids and derivatives. These are organic compounds containing a carboxyl group (or a derivative thereof) attached to a cyclopropane ring.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

Associated Targets(Human)

ACHN (49357 Activities)

Lot Number	Certificate Type	Date	Item
J22181006	Certificate of Analysis	Aug 19, 2025	E342572
J22181032	Certificate of Analysis	Aug 19, 2025	E342572
J2218999	Certificate of Analysis	Aug 19, 2025	E342572
J2218759	Certificate of Analysis	Aug 15, 2025	E342572

Refractive Index	n20/D 1.445 (lit.)
Flash Point(°F)	211 °F
Boil Point(°C)	217 °C (lit.)
Molecular Weight	139.150 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	139.063 Da
Monoisotopic Mass	139.063 Da
Topological Polar Surface Area	50.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	197.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1