Ethyl cyanoacetate - ≥99% , CAS No.105-56-6

CAS: 105-56-6 Cat. No.: E105739 분자식: C₅H₇NO₂ 분자량: 113.11 Beilstein Registry Number: 605871 EC 번호: 203-309-0

GRADE & PURITY ≥99%

Synonyms

Ethyl 2-cyanoacetate;Cyanoacetic acid ethyl ester | ACETIC ACID,CYANO,ETHYL ESTER | EC 203-309-0 | ETHYL CYANOACETATE [MI] | C90336 | DTXCID506718 | ETHYLCYANOACETATE | ethyl-cyanoacetate | F0001-0108 | Q-201084 | Ethyl2-Cyanoacetate-13C15N | Ethylester k

Storage

Room temperature

Shipped In

FedEx DG Service

개요

Ethyl cyanoacetate is an ester. Knoevenagel condensation of ethyl cyanoacetate with aldehyde is reported. Microwave enhanced Knoevenegal condensation reaction of ethyl cyanoacetate with an aldehyde, P2O5, piperidine and chlorobenzene is reported.

Specifications

동의어

Ethyl 2-cyanoacetate;Cyanoacetic acid ethyl ester | ACETIC ACID,CYANO,ETHYL ESTER | EC 203-309-0 | ETHYL CYANOACETATE [MI] | C90336 | DTXCID506718 | ETHYLCYANOACETATE | ethyl-cyanoacetate | F0001-0108 | Q-201084 | Ethyl2-Cyanoacetate-13C15N | Ethylester k

사양 및 순도

≥99%

보관 조건

Room temperature

배송

FedEx DG Service

순수함

≥99%

이름과 식별자

Pubchem Sid

488180558

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488180558

정식 스마일

CCOC(=O)CC#N

IUPAC Name

ethyl 2-cyanoacetate

InChIKey

ZIUSEGSNTOUIPT-UHFFFAOYSA-N

INCHI

1S/C5H7NO2/c1-2-8-5(7)3-4-6/h2-3H2,1H3

이성체 SMILES

CCOC(=O)CC#N

WGK 독일

1

RTECS

AG4110000

UN 번호

3276

포장 그룹

I

분자량

113.11

Beilstein

605871

Reaxy-Rn

605871

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=605871&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Nitriles Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 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 acyclic compound
• 설명: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• External Descriptors: Not available

Data sources

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

화학 및 물리적 특성

• 용해성: It is slightly soluble in water. Mostly soluble in organic solvents such as chloroform, ethyl acetate.
• 감도: Light sensitive
• 굴절률: 1.417-1.419
• 발화점(°C): 110℃
• 끓는점(°C): 206～208°C
• 녹는점(°C): -22.5°C
• 분자량: 113.110 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 113.048 Da
• Monoisotopic Mass: 113.048 Da
• Topological Polar Surface Area: 50.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 122.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product is classified as dangerous goods and ships via FedEx DG Service. Ground and other economy services are not available, and delivery to some destinations or address types may be restricted.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 105-56-6, the molecular formula is C5H7NO2, and the molecular weight is 113.11 g/mol. InChIKey ZIUSEGSNTOUIPT-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.