Cas no 1017779-39-3 (5-(Difluoromethoxy)-3-fluorobenzyl bromide)

5-(Difluoromethoxy)-3-fluorobenzyl bromide is a fluorinated benzyl bromide derivative commonly employed as a versatile intermediate in organic synthesis, particularly in pharmaceutical and agrochemical applications. The presence of both difluoromethoxy and fluorine substituents enhances its reactivity and stability, making it suitable for nucleophilic substitution reactions and cross-coupling processes. Its structural features contribute to improved lipophilicity and metabolic stability in derived compounds. The bromomethyl group allows for efficient functionalization, enabling the introduction of benzyl moieties into target molecules. This compound is particularly valuable in the development of bioactive molecules, where selective fluorination is critical for optimizing physicochemical properties. Proper handling under inert conditions is recommended due to its sensitivity to moisture and potential lachrymatory effects.

5-(Difluoromethoxy)-3-fluorobenzyl bromide structure

1017779-39-3 structure

Product Name:5-(Difluoromethoxy)-3-fluorobenzyl bromide

CAS No:1017779-39-3

MF:C₈H₆BrF₃O

MW:255.031852245331

CID:3161375

PubChem ID:46737678

Update Time:2025-06-09

5-(Difluoromethoxy)-3-fluorobenzyl bromide Chemical and Physical Properties

Names and Identifiers

- 5-(Difluoromethoxy)-3-fluorobenzyl bromide
- JS-4766
- 1-(bromomethyl)-3-(difluoromethoxy)-5-fluorobenzene
- SZFFWIBFEJPELW-UHFFFAOYSA-N
- AKOS015956792
- 3-(Difluoromethoxy)-5-fluorobenzyl bromide
- 1017779-39-3
- MFCD09832362
- SCHEMBL13570621
- DTXSID601224552
- MDL： MFCD09832362
- Inchi： 1S/C8H6BrF3O/c9-4-5-1-6(10)3-7(2-5)13-8(11)12/h1-3,8H,4H2
- InChI Key： SZFFWIBFEJPELW-UHFFFAOYSA-N
- SMILES： BrCC1C=C(C=C(C=1)OC(F)F)F

Computed Properties

Exact Mass: 253.95541Da
Monoisotopic Mass: 253.95541Da
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 1
Heavy Atom Count: 13
Rotatable Bond Count: 3
Complexity: 156
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.5
Topological Polar Surface Area: 9.2?2

5-(Difluoromethoxy)-3-fluorobenzyl bromide Pricemore >>

Related Categories	No.	Product Name	Cas No.	Purity	Specification	Price	update time
TRC	D107225-250mg	5-(Difluoromethoxy)-3-fluorobenzyl bromide	1017779-39-3		250mg	$ 230.00	2022-06-06
TRC	D107225-500mg	5-(Difluoromethoxy)-3-fluorobenzyl bromide	1017779-39-3		500mg	$ 385.00	2022-06-06
Apollo Scientific	PC302611-1g	5-(Difluoromethoxy)-3-fluorobenzyl bromide	1017779-39-3	95%	1g	￡80.00	2025-02-21
Apollo Scientific	PC302611-5g	5-(Difluoromethoxy)-3-fluorobenzyl bromide	1017779-39-3	95%	5g	￡309.00	2025-02-21