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4-(Trifluoromethoxy)phenylacetonitrile - >98.0%(HPLC), high purity , CAS No.49561-96-8

COA

Grade & Purity:

≥98%(HPLC)

Cas Number: 49561-96-8
Molecular Weight: 201.15
MDL number: MFCD00061240
PubChem CID: 142676
PubChem SID: 488188148

In stock

Item Number

T162201

Grouped product items
SKU	Size	Availability	Price
T162201-1g	1g	3	$29.90
T162201-5g	5g	2	$144.90
T162201-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$649.90
T162201-100g	100g	4	$2,339.90

View related series

Element classified compounds (2014) Trifluoromethoxy compound (76)

Basic Description

Synonyms	EN300-33442 \| AC-16919 \| F0001-1288 \| Z285131460 \| PS-8201 \| MFCD00061240 \| 4-trifluoromethoxybenzylcyanide \| FT-0616900 \| diethyleneglycol diethylether \| 2-(4-(Trifluoromethoxy)phenyl)acetonitrile \| 4-trifluoromethoxyphenylacetonitrile \| 4-trifluorometho
Specifications & Purity	≥98%(HPLC)
Shipped In	Normal
Product Description	4-(Trifluoromethoxy)phenylacetonitrile is para-trifluoromethoxy substituted phenylacetonitrile.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl cyanides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl cyanides
Alternative Parents	Phenoxy compounds Phenol ethers Trihalomethanes Nitriles Organopnictogen compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyl-cyanide - Phenoxy compound - Phenol ether - Trihalomethane - Carbonitrile - Nitrile - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Halomethane - Organopnictogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl cyanides. These are organic compounds containing an acetonitrile with one hydrogen replaced by a phenyl group.
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

Pubchem Sid	488188148
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488188148
IUPAC Name	2-[4-(trifluoromethoxy)phenyl]acetonitrile
INCHI	InChI=1S/C9H6F3NO/c10-9(11,12)14-8-3-1-7(2-4-8)5-6-13/h1-4H,5H2
InChIKey	LYFCAROXYJTUQF-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1CC#N)OC(F)(F)F
Isomeric SMILES	C1=CC(=CC=C1CC#N)OC(F)(F)F
WGK Germany	3
PubChem CID	142676
Molecular Weight	201.15
Reaxy-Rn	2643789

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.

8 results found

Lot Number	Certificate Type	Date	Item
K1724174	Certificate of Analysis	Jun 12, 2025	T162201
K1724173	Certificate of Analysis	Jun 12, 2025	T162201
K2408608	Certificate of Analysis	Jun 27, 2024	T162201
H2218365	Certificate of Analysis	Jun 18, 2022	T162201
H2218684	Certificate of Analysis	Jun 18, 2022	T162201
H2218370	Certificate of Analysis	Jun 18, 2022	T162201
H2218371	Certificate of Analysis	Jun 18, 2022	T162201
L2420161	Certificate of Analysis	Jun 18, 2022	T162201

Chemical and Physical Properties

Refractive Index	1.448
Flash Point(°F)	235.4 °F
Flash Point(°C)	>110°C
Boil Point(°C)	96°C/4mmHg
Melt Point(°C)	30-33°C
Molecular Weight	201.140 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	201.04 Da
Monoisotopic Mass	201.04 Da
Topological Polar Surface Area	33.000 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	222.000
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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