Skip to the beginning of the images gallery

Ethyl 3-isocyanatopropionate - 98%, high purity , CAS No.5100-34-5

COA

Grade & Purity:

≥98%

Cas Number: 5100-34-5
Molecular Weight: 143.14
PubChem CID: 2733373
PubChem SID: 488192391

In stock

Item Number

E170679

Grouped product items
SKU	Size	Availability	Price
E170679-10g	10g	4	$263.90
E170679-1g	1g	5	$44.90
E170679-5g	5g	4	$171.90

Discover Ethyl 3-isocyanatopropionate by Aladdin Scientific in 98% for only $44.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	ethyl N-(oxomethylidene)-beta-alaninate \| FT-0626031 \| BBL037671 \| STK502573 \| DTXSID50369871 \| A828389 \| 3-ISOCYANATOPROPIONIC ACID ETHYL ESTER \| 3-isocyanato-propionic acid ethyl ester \| ethyl 3-isocyanatopropanoate \| GEO-01357 \| ethyl-3-isocyanatopropi
Specifications & Purity	≥98%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic nitrogen compounds
  - Class Organonitrogen compounds
    - Subclass Isocyanates

Kingdom	Organic compounds
Superclass	Organic nitrogen compounds
Class	Organonitrogen compounds
Subclass	Isocyanates
Intermediate Tree Nodes	Not available
Direct Parent	Isocyanates
Alternative Parents	Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic acyclic compounds
Substituents	Isocyanate - Carboxylic acid ester - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as isocyanates. These are organic compounds containing the isocyanic acid tautomer, HN=C=O, of cyanic acid, HOC#N or its hydrocarbyl derivatives RN=C=O.
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

Names and Identifiers

Pubchem Sid	488192391
IUPAC Name	ethyl 3-isocyanatopropanoate
INCHI	InChI=1S/C6H9NO3/c1-2-10-6(9)3-4-7-5-8/h2-4H2,1H3
InChIKey	XBSGYVHOINMTIM-UHFFFAOYSA-N
Smiles	CCOC(=O)CCN=C=O
Isomeric SMILES	CCOC(=O)CCN=C=O
WGK Germany	3
Molecular Weight	143.14
Reaxy-Rn	1705618
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1705618&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number	Certificate Type	Date	Item
C2318464	Certificate of Analysis	Dec 14, 2022	E170679
C2318478	Certificate of Analysis	Dec 14, 2022	E170679
C2318499	Certificate of Analysis	Dec 14, 2022	E170679
C2318503	Certificate of Analysis	Dec 14, 2022	E170679
C2318470	Certificate of Analysis	Dec 14, 2022	E170679
C2318498	Certificate of Analysis	Dec 14, 2022	E170679

Chemical and Physical Properties

Refractive Index	n20/D 1.429 (lit.)
Flash Point(°F)	199.4 °F
Flash Point(°C)	93 °C
Boil Point(°C)	68 °C/3 mmHg (lit.)
Molecular Weight	143.140 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	143.058 Da
Monoisotopic Mass	143.058 Da
Topological Polar Surface Area	55.700 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	149.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration