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Furfuryl isothiocyanate - 97%, high purity , CAS No.4650-60-6

COA

Grade & Purity:

≥97%

Cas Number: 4650-60-6
Molecular Weight: 139.18
Beilstein Registry Number: 1281561
EC Number: 225-079-0
MDL number: MFCD00014112
PubChem CID: 78380

In stock

Item Number

F140435

Grouped product items
SKU	Size	Availability	Price	Qty
F140435-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$139.90
F140435-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$399.90

Basic Description

Synonyms	2-furylmethyl isothiocyanate \| 2-Furfuryl isothiocyanate \| 2-(Isothiocyanatomethyl)furan
Specifications & Purity	≥97%
Storage Temp	Protected from light,Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Heteroaromatic compounds

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Heteroaromatic compounds
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Heteroaromatic compounds
Alternative Parents	Furans Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Heteroaromatic compound - Furan - Isothiocyanate - Oxacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
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-(isothiocyanatomethyl)furan
INCHI	InChI=1S/C6H5NOS/c9-5-7-4-6-2-1-3-8-6/h1-3H,4H2
InChIKey	ICXYINJACKJQQV-UHFFFAOYSA-N
Smiles	C1=COC(=C1)CN=C=S
Isomeric SMILES	C1=COC(=C1)CN=C=S
Molecular Weight	139.18
Beilstein	1281561
Reaxy-Rn	1281561
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1281561&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.

4 results found

Lot Number	Certificate Type	Date	Item
E2519556	Certificate of Analysis	Apr 11, 2025	F140435
E2519557	Certificate of Analysis	Apr 11, 2025	F140435
E2519558	Certificate of Analysis	Apr 11, 2025	F140435
E2519559	Certificate of Analysis	Apr 11, 2025	F140435

Chemical and Physical Properties

Sensitivity	Light and moisture sensitive
Refractive Index	1.5655
Boil Point(°C)	64-68°C
Molecular Weight	139.180 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	139.009 Da
Monoisotopic Mass	139.009 Da
Topological Polar Surface Area	57.600 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	131.000
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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