5-Bromo-2-fluoro-m-xylene - CAS 99725-44-7

Catalog:	BB042330
Product Name:	5-Bromo-2-fluoro-m-xylene
CAS:	99725-44-7
Synonyms:	5-bromo-2-fluoro-1,3-dimethylbenzene; 5-bromo-2-fluoro-1,3-dimethylbenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-2-fluoro-1,3-dimethylbenzene
Description:	5-Bromo-2-fluoro-m-xylene (CAS# 99725-44-7) is a useful research chemical.
Molecular Weight:	203.05
Molecular Formula:	C8H8BrF
Canonical SMILES:	CC1=CC(=CC(=C1F)C)Br
InChI:	InChI=1S/C8H8BrF/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3
InChI Key:	ZXPHUVHMBKRRJF-UHFFFAOYSA-N
Boiling Point:	95 °C
Density:	1.45 g/cm³
MDL:	MFCD01320701
LogP:	3.20500

Publication Number	Title	Priority Date
KR-20210065883-A	Novel quinazoline redox derivatives and their use as bet inhibitors	20191126
WO-2021107657-A1	Novel quinazoline redox derivative, and use as bet inhibitor	20191126
JP-2019099571-A	Pharmaceutical composition containing pyrazolopyridine derivative having GLP-1 receptor agonist activity	20171129
WO-2018102419-A1	Compounds containing a sulfonic group as kat inhibitors	20161129
CA-3038479-A1	Pyrazolopyridine derivative having glp-1 receptor agonist effect	20160926

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Related Functional Groups

Halides

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2,4-di-tert-butyl-6-chloro-1,3,5-triazine
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2-Bromo-1-phenylpropane

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.97934
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	201.97934
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4