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Pentafluorophenyl isothiocyanate - 97.0% (GC), high purity , CAS No.35923-79-6

COA

Grade & Purity:

≥97%(GC)

Cas Number: 35923-79-6
Molecular Weight: 225.14
PubChem CID: 123452

In stock

Item Number

P169887

Grouped product items
SKU	Size	Availability	Price	Qty
P169887-1g	1g	3	$309.90
P169887-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$579.90

Discover Pentafluorophenyl isothiocyanate by Aladdin Scientific in 97.0% (GC) for only $309.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	Pentafluorophenyl isothiocyanate \| 35923-79-6 \| Pentafluorophenylisothiocyanate \| 1,2,3,4,5-Pentafluoro-6-isothiocyanatobenzene \| 2,3,4,5,6-Pentafluorophenyl isothiocyanate \| Benzene, pentafluoroisothiocyanato- \| MFCD00041042 \| Perfluorophenyl isothiocyanate \| EINECS 252
Specifications & Purity	≥97%(GC)
Storage Temp	Store at 2-8°C,Argon charged
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Halobenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Aryl fluorides Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fluorobenzene - Aryl halide - Aryl fluoride - Isothiocyanate - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to a benzene ring.
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	1,2,3,4,5-pentafluoro-6-isothiocyanatobenzene
INCHI	InChI=1S/C7F5NS/c8-2-3(9)5(11)7(13-1-14)6(12)4(2)10
InChIKey	NGNKMRBGZPDABE-UHFFFAOYSA-N
Smiles	C(=NC1=C(C(=C(C(=C1F)F)F)F)F)=S
Isomeric SMILES	C(=NC1=C(C(=C(C(=C1F)F)F)F)F)=S
PubChem CID	123452
Molecular Weight	225.14

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
B2426719	Certificate of Analysis	Jan 18, 2024	P169887
B2426720	Certificate of Analysis	Jan 18, 2024	P169887
B2426721	Certificate of Analysis	Jan 18, 2024	P169887
B2426722	Certificate of Analysis	Jan 18, 2024	P169887
D2526006	Certificate of Analysis	Jan 18, 2024	P169887

Chemical and Physical Properties

Sensitivity	Moisture sensitive
Boil Point(°C)	38-39°C/0.2mmHg
Molecular Weight	225.140 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	224.967 Da
Monoisotopic Mass	224.967 Da
Topological Polar Surface Area	44.500 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	240.000
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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