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1-Fluoro-4-methyl-2-propoxybenzene - 98%, high purity , CAS No.1311197-87-1

COA

Grade & Purity:

≥98%

Cas Number: 1311197-87-1
Molecular Weight: 168.2
PubChem CID: 54758763

In stock

Item Number

F181105

Grouped product items
SKU	Size	Availability	Price	Qty
F181105-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$845.90
F181105-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,253.90

Basic Description

Synonyms	1-Fluoro-4-methyl-2-propoxybenzene \| 1311197-87-1 \| 4-Fluoro-3-propoxytoluene \| SCHEMBL764961 \| DTXSID40716517 \| MFCD19237203 \| AKOS014182567 \| Benzene, 1-fluoro-4-methyl-2-propoxy- \| BS-20484 \| CS-0209074
Specifications & Purity	≥98%
Storage Temp	Room temperature
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 Toluenes Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Phenol ether - Alkyl aryl ether - Fluorobenzene - Toluene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Ether - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Organofluoride - 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

IUPAC Name	1-fluoro-4-methyl-2-propoxybenzene
INCHI	InChI=1S/C10H13FO/c1-3-6-12-10-7-8(2)4-5-9(10)11/h4-5,7H,3,6H2,1-2H3
InChIKey	FEFLYMGNHMYIIA-UHFFFAOYSA-N
Smiles	CCCOC1=C(C=CC(=C1)C)F
Isomeric SMILES	CCCOC1=C(C=CC(=C1)C)F
Molecular Weight	168.2
Reaxy-Rn	40172850
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40172850&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	168.210 g/mol
XLogP3	3.300
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	168.095 Da
Monoisotopic Mass	168.095 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	127.000
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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