2-Bromo-4-(difluoromethyl)-1-fluorobenzene - CAS 886509-99-5

Catalog:	BB039125
Product Name:	2-Bromo-4-(difluoromethyl)-1-fluorobenzene
CAS:	886509-99-5
Synonyms:	2-bromo-4-(difluoromethyl)-1-fluorobenzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-4-(difluoromethyl)-1-fluorobenzene
Description:	2-Bromo-4-(difluoromethyl)-1-fluorobenzene (CAS# 886509-99-5) is a useful research chemical.
Molecular Weight:	225.01
Molecular Formula:	C7H4BrF3
Canonical SMILES:	C1=CC(=C(C=C1C(F)F)Br)F
InChI:	InChI=1S/C7H4BrF3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,7H
InChI Key:	SKVRXULNDBZCFL-UHFFFAOYSA-N
Boiling Point:	195.5 °C at 760 mmHg
Density:	1.633 g/cm³
MDL:	MFCD08276255
LogP:	3.52580

Publication Number	Title	Priority Date
JP-2020097527-A	Heterocyclic compound	20170331
AU-2011272862-A1	Heterocyclic compounds and their use as inhibitors of PI3K activity	20100630
CA-2803358-A1	Heterocyclic compounds and their use as inhibitors of pi3k activity	20100630
EP-2588471-A1	Heterocyclic compounds and their use as inhibitors of pi3k activity	20100630
US-2013090323-A1	Heterocyclic compounds and their uses	20100630

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.94485
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	223.94485
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3