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2-(Trifluoromethoxy)phenyl isothiocyanate - 95%, high purity , CAS No.175205-33-1

COA

Grade & Purity:

≥95%

Cas Number: 175205-33-1
Molecular Weight: 219.19
MDL number: MFCD00220860
PubChem CID: 2777336
PubChem SID: 488193743

In stock

Item Number

T300036

Grouped product items
SKU	Size	Availability	Price	Qty
T300036-1g	1g	4	$69.90
T300036-5g	5g	3	$241.90

Discover 2-(Trifluoromethoxy)phenyl isothiocyanate by Aladdin Scientific in 95% for only $69.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	2-(Trifluoromethoxy)phenyl isothiocyanate \| 175205-33-1 \| 1-isothiocyanato-2-(trifluoromethoxy)benzene \| Benzene, 1-isothiocyanato-2-(trifluoromethoxy)- \| MFCD00220860 \| 2-(trifluoromethoxy)phenylisothiocyanate \| Benzene,1-isothiocyanato-2-(trifluoromethoxy)- \| 1-isoth
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenol ethers
Alternative Parents	Phenoxy compounds Trihalomethanes Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Isothiocyanate - Trihalomethane - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Halomethane - Hydrocarbon derivative - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Organic nitrogen compound - Alkyl halide - Organopnictogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with 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

Pubchem Sid	488193743
IUPAC Name	1-isothiocyanato-2-(trifluoromethoxy)benzene
INCHI	InChI=1S/C8H4F3NOS/c9-8(10,11)13-7-4-2-1-3-6(7)12-5-14/h1-4H
InChIKey	ZFEJYPIWOGCCFS-UHFFFAOYSA-N
Smiles	C1=CC=C(C(=C1)N=C=S)OC(F)(F)F
Isomeric SMILES	C1=CC=C(C(=C1)N=C=S)OC(F)(F)F
PubChem CID	2777336
UN Number	1760
Packing Group	I
Molecular Weight	219.19

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.

2 results found

Lot Number	Certificate Type	Date	Item
G2221240	Certificate of Analysis	May 07, 2025	T300036
G2221238	Certificate of Analysis	May 07, 2025	T300036

Chemical and Physical Properties

Molecular Weight	219.190 g/mol
XLogP3	4.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	2
Exact Mass	218.997 Da
Monoisotopic Mass	218.997 Da
Topological Polar Surface Area	53.700 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	237.000
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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