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2-Hydroxy-5-trifluoromethylbenzonitrile - 95%, high purity , CAS No.142167-36-0

COA

Grade & Purity:

≥95%

Cas Number: 142167-36-0
Molecular Weight: 187.1
PubChem CID: 10726231
PubChem SID: 504765597

In stock

Item Number

H181464

Grouped product items
SKU	Size	Availability	Price
H181464-250mg	250mg	3	$28.90
H181464-1g	1g	4	$48.90
H181464-5g	5g	5	$187.90
H181464-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$655.90

Basic Description

Synonyms	2-Hydroxy-5-trifluoromethylbenzonitrile \| 142167-36-0 \| 2-hydroxy-5-(trifluoromethyl)benzonitrile \| Benzonitrile, 2-hydroxy-5-(trifluoromethyl)- \| MFCD11213679 \| 2-cyano-4-trifluoromethylphenol \| SCHEMBL4594768 \| DTXSID20443975 \| CL8171 \| AKOS008124419 \| AM84106 \| CS-W021703 \| F
Specifications & Purity	≥95%
Storage Temp	Room temperature
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	Benzonitriles 1-hydroxy-2-unsubstituted benzenoids Nitriles Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Trifluoromethylbenzene - Benzonitrile - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Carbonitrile - Nitrile - Alkyl fluoride - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Alkyl halide - 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	504765597
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504765597
IUPAC Name	2-hydroxy-5-(trifluoromethyl)benzonitrile
INCHI	InChI=1S/C8H4F3NO/c9-8(10,11)6-1-2-7(13)5(3-6)4-12/h1-3,13H
InChIKey	FGLWZZOKMAMVSE-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1C(F)(F)F)C#N)O
Isomeric SMILES	C1=CC(=C(C=C1C(F)(F)F)C#N)O
Molecular Weight	187.1
Reaxy-Rn	7703954
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7703954&ln=

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

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Analytical Chart:

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2 results found

Lot Number	Certificate Type	Date	Item
I1923165	Certificate of Analysis	Jul 11, 2023	H181464
L2206075	Certificate of Analysis	Dec 12, 2022	H181464

Chemical and Physical Properties

Molecular Weight	187.120 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	0
Exact Mass	187.024 Da
Monoisotopic Mass	187.024 Da
Topological Polar Surface Area	44.000 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	229.000
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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