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2,5-Difluorobenzyl bromide - 98%, high purity , CAS No.85117-99-3

COA

Grade & Purity:

≥98%

Cas Number: 85117-99-3
Molecular Weight: 207.02
Beilstein Registry Number: 7089248
EC Number: 285-651-0
MDL number: MFCD00009897
PubChem CID: 522830
PubChem SID: 488190141

In stock

Item Number

D120601

Grouped product items
SKU	Size	Availability	Price
D120601-1g	1g	3	$9.90
D120601-5g	5g	4	$28.90
D120601-25g	25g	2	$86.90
D120601-100g	100g	2	$311.90

View related series

Non heterocyclic fluorine-containing block (1408) Synthetic block (741)

Basic Description

Synonyms	InChI=1/C7H5BrF2/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2 \| W-104093 \| 2,5-Difluorobenzyl bromide \| 2,5-Difluorobenzyl bromide, 98% \| FT-0610355 \| SCHEMBL119218 \| D2597 \| DTXSID50234237 \| 2-(Bromomethyl)-1,4-difluorobenzene \| a-bromo-2,5-difluorotoluene \| Benzen
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	Fluorobenzenes Aryl fluorides Organofluorides Organobromides Hydrocarbon derivatives Alkyl bromides
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyl bromide - Halobenzene - Fluorobenzene - Aryl halide - Aryl fluoride - Hydrocarbon derivative - Organofluoride - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - 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	488190141
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488190141
IUPAC Name	2-(bromomethyl)-1,4-difluorobenzene
INCHI	InChI=1S/C7H5BrF2/c8-4-5-3-6(9)1-2-7(5)10/h1-3H,4H2
InChIKey	ONWGSWNHQZYCFK-UHFFFAOYSA-N
Smiles	C1=CC(=C(C=C1F)CBr)F
Isomeric SMILES	C1=CC(=C(C=C1F)CBr)F
WGK Germany	3
Molecular Weight	207.02
Beilstein	7089248
Reaxy-Rn	7089248
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7089248&ln=

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

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

Analytical Chart:

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7 results found

Lot Number	Certificate Type	Date	Item
E2406377	Certificate of Analysis	Mar 23, 2024	D120601
E2406384	Certificate of Analysis	Mar 23, 2024	D120601
D1811133	Certificate of Analysis	Aug 03, 2023	D120601
L1228034	Certificate of Analysis	Jul 12, 2023	D120601
D2318435	Certificate of Analysis	May 02, 2023	D120601
F2317907	Certificate of Analysis	Apr 09, 2023	D120601
D2303645	Certificate of Analysis	Apr 09, 2023	D120601

Chemical and Physical Properties

Refractive Index	1.526
Flash Point(°F)	60.8 °F
Flash Point(°C)	16 °C
Molecular Weight	207.010 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	205.954 Da
Monoisotopic Mass	205.954 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	108.000
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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