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2-Chloro-3-isothiocyanatopropene - 95%, high purity , CAS No.14214-31-4

COA

Grade & Purity:

≥95%

Cas Number: 14214-31-4
Molecular Weight: 133.6
PubChem CID: 26575
PubChem SID: 488183025

In stock

Item Number

C167243

Grouped product items
SKU	Size	Availability	Price	Qty
C167243-1g	1g	2	$300.90
C167243-5g	5g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$1,030.90

Discover 2-Chloro-3-isothiocyanatopropene by Aladdin Scientific in 95% for only $300.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	14214-31-4 \| 2-Chloro-3-isothiocyanatopropene \| 2-Chloroallyl isothiocyanate \| 2-chloro-3-isothiocyanatoprop-1-ene \| 1-Propene,2-chloro-3-isothiocyanato- \| 2-Chloro-3-isothiocyanato-1-propene \| ISOTHIOCYANIC ACID, 2-CHLOROALLYL ESTER \| 2-chloro-3-isothiocyanato-prop-1-
Specifications & Purity	≥95%
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organosulfur compounds
  - Class Isothiocyanates

Kingdom	Organic compounds
Superclass	Organosulfur compounds
Class	Isothiocyanates
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Isothiocyanates
Alternative Parents	Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Chloroalkenes Organopnictogen compounds Organonitrogen compounds Organochlorides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Isothiocyanate - Chloroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as isothiocyanates. These are organic compounds containing the isothiocyanate group, an isocyanate analogue with the general formula RN=C=S.
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	488183025
IUPAC Name	2-chloro-3-isothiocyanatoprop-1-ene
INCHI	InChI=1S/C4H4ClNS/c1-4(5)2-6-3-7/h1-2H2
InChIKey	DGBFPSVUFUDQNA-UHFFFAOYSA-N
Smiles	C=C(CN=C=S)Cl
Isomeric SMILES	C=C(CN=C=S)Cl
Molecular Weight	133.6
Reaxy-Rn	1748580
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1748580&ln=

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

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

Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
I1803052	Certificate of Analysis	Oct 12, 2024	C167243
I1803051	Certificate of Analysis	May 09, 2024	C167243

Chemical and Physical Properties

Molecular Weight	133.600 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	132.975 Da
Monoisotopic Mass	132.975 Da
Topological Polar Surface Area	44.500 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	115.000
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

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