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2-(Bromomethyl)-5-ethoxy-1，3-difluorobenzene - ≥98%, high purity , CAS No.1017779-51-9

COA

Grade & Purity:

≥98%

Cas Number: 1017779-51-9
Molecular Weight: 251.08
PubChem CID: 46737616

In stock

Item Number

E732724

Grouped product items
SKU	Size	Availability	Price
E732724-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$175.90
E732724-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$474.90
E732724-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,722.90

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzyl halides
Intermediate Tree Nodes	Not available
Direct Parent	Benzyl bromides
Alternative Parents	Phenoxy compounds Phenol ethers Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organofluorides Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Benzyl bromide - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Ether - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl bromide - Organic oxygen compound - Alkyl halide - Organobromide - Organofluoride - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as benzyl bromides. These are organic compounds containing a benzene skeleton substituted with a bromomethyl group.
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	2-(bromomethyl)-5-ethoxy-1,3-difluorobenzene
INCHI	InChI=1S/C9H9BrF2O/c1-2-13-6-3-8(11)7(5-10)9(12)4-6/h3-4H,2,5H2,1H3
InChIKey	FLUSMXIXICUDDW-UHFFFAOYSA-N
Smiles	CCOC1=CC(=C(C(=C1)F)CBr)F
Isomeric SMILES	CCOC1=CC(=C(C(=C1)F)CBr)F
PubChem CID	46737616
Molecular Weight	251.08

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	251.070 g/mol
XLogP3	3.000
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	249.98 Da
Monoisotopic Mass	249.98 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	145.000
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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