Skip to the beginning of the images gallery

Chloroacetyl isocyanate - 90%, high purity , CAS No.4461-30-7

COA

Grade & Purity:

≥90%

Cas Number: 4461-30-7
Molecular Weight: 119.51
PubChem CID: 78209

In stock

Item Number

C170407

Grouped product items
SKU	Size	Availability	Price	Qty
C170407-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$32.90
C170407-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$105.90

Discover Chloroacetyl isocyanate by Aladdin Scientific in 90% for only $32.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Chloroacetyl isocyante \| alpha-chloroacetyl isocyanate \| UNII-H5WF2AMH7J \| Acetyl isocyanate, chloro- \| Q27279679 \| Chloroacetylisocyanate \| Chloroacetyl isocyanate, >=95% \| EINECS 224-715-4 \| FT-0611900 \| SCHEMBL482641 \| CHLOROACETYL ISOCYANATE [MI] \| GE
Specifications & Purity	≥90%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Chloroacetyl isocyanate has been used in the synthesis of: fumagillin analogs 2-chloro-N-(4-oxocyclopent-2-enyl)-acetamide

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	Propargyl-type 1,3-dipolar organic compounds Carboxylic acids and derivatives Organopnictogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework	Aliphatic acyclic compounds
Substituents	Isocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl chloride - 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

IUPAC Name	2-chloroacetyl isocyanate
INCHI	InChI=1S/C3H2ClNO2/c4-1-3(7)5-2-6/h1H2
InChIKey	MOVMEFHWBOWMFU-UHFFFAOYSA-N
Smiles	C(C(=O)N=C=O)Cl
Isomeric SMILES	C(C(=O)N=C=O)Cl
WGK Germany	3
Molecular Weight	119.51
Reaxy-Rn	1904273
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904273&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Refractive Index	n20/D 1.463 (lit.)
Flash Point(°F)	143.6 °F
Flash Point(°C)	62 °C
Boil Point(°C)	50-55 °C/20 mmHg (lit.)
Molecular Weight	119.500 g/mol
XLogP3	1.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	118.977 Da
Monoisotopic Mass	118.977 Da
Topological Polar Surface Area	46.500 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	116.000
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