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4-Fluorophenylacetaldehyde dimethylacetal - 95%, high purity , CAS No.121039-98-3

COA

Grade & Purity:

≥95%

Cas Number: 121039-98-3
Molecular Weight: 184.21
MDL number: MFCD16875662
PubChem CID: 14817335

In stock

Item Number

F467066

Grouped product items
SKU	Size	Availability	Price	Qty
F467066-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$240.90

Basic Description

Synonyms	EN300-74911 \| 4-Fluorophenylacetaldehyde dimethylacetal \| DTXSID50564369 \| SCHEMBL9718322 \| 4-Fluorophenylacetaldehyde dimethylacetal, 95% \| AKOS033199685 \| 1-(2,2-dimethoxyethyl)-4-fluorobenzene
Specifications & Purity	≥95%

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Halobenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Fluorobenzenes
Alternative Parents	Aryl fluorides Acetals Organofluorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Fluorobenzene - Aryl halide - Aryl fluoride - Acetal - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organofluoride - Organohalogen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as fluorobenzenes. These are compounds containing one or more fluorine atoms attached to 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-(2,2-dimethoxyethyl)-4-fluorobenzene
INCHI	InChI=1S/C10H13FO2/c1-12-10(13-2)7-8-3-5-9(11)6-4-8/h3-6,10H,7H2,1-2H3
InChIKey	ICDKNFHCKJLHMN-UHFFFAOYSA-N
Smiles	COC(CC1=CC=C(C=C1)F)OC
Isomeric SMILES	COC(CC1=CC=C(C=C1)F)OC
WGK Germany	3
Molecular Weight	184.21
Reaxy-Rn	22454825
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22454825&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Flash Point(°F)	199.4 °F
Flash Point(°C)	93 °C
Molecular Weight	184.210 g/mol
XLogP3	2.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	184.09 Da
Monoisotopic Mass	184.09 Da
Topological Polar Surface Area	18.500 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	129.000
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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