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2-Methoxy-5-(trifluoromethyl)benzonitrile - 97%, high purity , CAS No.34636-92-5

COA

Grade & Purity:

≥97%

Cas Number: 34636-92-5
Molecular Weight: 201.15
MDL number: MFCD06409082
PubChem CID: 17750808
PubChem SID: 488199540

In stock

Item Number

M120847

Grouped product items
SKU	Size	Availability	Price
M120847-1g	1g	10	$23.90
M120847-5g	5g	6	$53.90
M120847-25g	25g	4	$211.90
M120847-100g	100g	2	$762.90

Basic Description

Synonyms	2-Methoxy-5-(trifluoromethyl)benzonitrile \| 34636-92-5 \| MFCD06409082 \| 2-methoxy-5-trifluoromethylbenzonitrile \| SCHEMBL2379685 \| DTXSID60590699 \| AKOS005255713 \| AC-7724 \| AM61458 \| CS-W015560 \| 2-methoxy-5-trifluoromethyl-benzonitrile \| AS-33161 \| FT-0653483 \| Benzonitrile, 2-m
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Trifluoromethylbenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Trifluoromethylbenzenes
Alternative Parents	Phenoxy compounds Methoxybenzenes Benzonitriles Anisoles Alkyl aryl ethers Nitriles Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Phenoxy compound - Anisole - Benzonitrile - Methoxybenzene - Phenol ether - Alkyl aryl ether - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
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	488199540
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488199540
IUPAC Name	2-methoxy-5-(trifluoromethyl)benzonitrile
INCHI	InChI=1S/C9H6F3NO/c1-14-8-3-2-7(9(10,11)12)4-6(8)5-13/h2-4H,1H3
InChIKey	KAJZODLWVHKBSI-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C=C1)C(F)(F)F)C#N
Isomeric SMILES	COC1=C(C=C(C=C1)C(F)(F)F)C#N
Molecular Weight	201.15
Reaxy-Rn	2841664
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2841664&ln=

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

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

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
E2308288	Certificate of Analysis	Jan 06, 2023	M120847
E2308289	Certificate of Analysis	Jan 06, 2023	M120847
E2308311	Certificate of Analysis	Jan 06, 2023	M120847
E2308295	Certificate of Analysis	Jan 06, 2023	M120847
E2308287	Certificate of Analysis	Jan 06, 2023	M120847
E2308281	Certificate of Analysis	Jan 06, 2023	M120847
E2308310	Certificate of Analysis	Jan 06, 2023	M120847
K1823144	Certificate of Analysis	Sep 15, 2022	M120847
K1823143	Certificate of Analysis	Sep 15, 2022	M120847
K1823142	Certificate of Analysis	Sep 15, 2022	M120847

Chemical and Physical Properties

Melt Point(°C)	30-34°C
Molecular Weight	201.140 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	1
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	242.000
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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