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2,3,6-Trifluoroanisole - 97%, high purity , CAS No.4920-34-7

COA

Grade & Purity:

≥97%

Cas Number: 4920-34-7
Molecular Weight: 162.11
Beilstein Registry Number: 2557137
MDL number: MFCD01631501
PubChem CID: 2776944
PubChem SID: 488193714

In stock

Item Number

T122608

Grouped product items
SKU	Size	Availability	Price
T122608-1g	1g	2	$28.90
T122608-5g	5g	4	$117.90
T122608-25g	25g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$488.90

Basic Description

Synonyms	2,3,6-Trifluoroanisole \| 4920-34-7 \| 1,2,4-trifluoro-3-methoxybenzene \| 3-Methoxy-1,2,4-trifluorobenzene \| SCHEMBL1994314 \| DTXSID30380302 \| MFCD01631501 \| AKOS006230580 \| AC-3818 \| AM62011 \| JS-4215 \| Benzene, 1,2,4-trifluoro-3-methoxy- \| FT-0609478 \| FT-0653949 \| A19876
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenol ethers
    - Subclass Anisoles

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenol ethers
Subclass	Anisoles
Intermediate Tree Nodes	Not available
Direct Parent	Anisoles
Alternative Parents	Phenoxy compounds Methoxybenzenes Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Fluorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Ether - Organohalogen compound - Organic oxygen compound - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
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	488193714
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488193714
IUPAC Name	1,2,4-trifluoro-3-methoxybenzene
INCHI	InChI=1S/C7H5F3O/c1-11-7-5(9)3-2-4(8)6(7)10/h2-3H,1H3
InChIKey	MLDVKASVEXYFKX-UHFFFAOYSA-N
Smiles	COC1=C(C=CC(=C1F)F)F
Isomeric SMILES	COC1=C(C=CC(=C1F)F)F
PubChem CID	2776944
Molecular Weight	162.11
Beilstein	2557137

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
H1618048	Certificate of Analysis	Apr 07, 2024	T122608
E2305916	Certificate of Analysis	May 18, 2023	T122608

Chemical and Physical Properties

Refractive Index	1.445
Flash Point(°F)	45°C(113°F)
Flash Point(°C)	45°C(113°F)
Boil Point(°C)	146°C
Molecular Weight	162.110 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	162.029 Da
Monoisotopic Mass	162.029 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	131.000
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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