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2-(Bromomethyl)-4-fluoro-1-methoxybenzene - 98%, high purity , CAS No.700381-18-6

COA

Grade & Purity:

≥98%

Cas Number: 700381-18-6
Molecular Weight: 219.05
PubChem CID: 20111745
PubChem SID: 504768891

In stock

Item Number

B194667

Grouped product items
SKU	Size	Availability	Price
B194667-250mg	250mg	3	$12.90
B194667-1g	1g	3	$39.90
B194667-5g	5g	3	$106.90
B194667-25g	25g	2	$322.90
B194667-100g	100g	1	$1,159.90

Basic Description

Synonyms	700381-18-6 \| 2-(bromomethyl)-4-fluoro-1-methoxybenzene \| 5-Fluoro-2-methoxybenzyl bromide \| 2-bromomethyl-4-fluoro-1-methoxybenzene \| MFCD00671769 \| 2-Methyloxy-5-fluorobenzyl bromide \| SCHEMBL1663130 \| DTXSID60602584 \| 2-Methoxy-5-Fluorobenzyl Bromide \| LXUGHXUXEMUEKR-UH
Specifications & Purity	≥98%
Shipped In	Normal

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 Methoxybenzenes Anisoles Fluorobenzenes Alkyl aryl ethers Aryl fluorides Organofluorides Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenoxy compound - Anisole - Methoxybenzene - Benzyl bromide - Phenol ether - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Ether - Organofluoride - Organooxygen compound - Alkyl bromide - Organic oxygen compound - Hydrocarbon derivative - Alkyl halide - Organohalogen compound - Organobromide - 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

Pubchem Sid	504768891
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768891
IUPAC Name	2-(bromomethyl)-4-fluoro-1-methoxybenzene
INCHI	InChI=1S/C8H8BrFO/c1-11-8-3-2-7(10)4-6(8)5-9/h2-4H,5H2,1H3
InChIKey	LXUGHXUXEMUEKR-UHFFFAOYSA-N
Smiles	COC1=C(C=C(C=C1)F)CBr
Isomeric SMILES	COC1=C(C=C(C=C1)F)CBr
Molecular Weight	219.05
Reaxy-Rn	14402843
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14402843&ln=

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

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

Analytical Chart:

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5 results found

Lot Number	Certificate Type	Date	Item
A2214340	Certificate of Analysis	Oct 23, 2024	B194667
A2214341	Certificate of Analysis	Oct 23, 2024	B194667
A2214342	Certificate of Analysis	Oct 23, 2024	B194667
A2214347	Certificate of Analysis	Oct 23, 2024	B194667
A2214349	Certificate of Analysis	Oct 23, 2024	B194667

Chemical and Physical Properties

Melt Point(°C)	58-62℃
Molecular Weight	219.050 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	217.974 Da
Monoisotopic Mass	217.974 Da
Topological Polar Surface Area	9.200 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	121.000
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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