2-Bromo-4-fluorobenzotrifluoride - CAS 351003-21-9

Catalog:	BB022441
Product Name:	2-Bromo-4-fluorobenzotrifluoride
CAS:	351003-21-9
Synonyms:	2-bromo-4-fluoro-1-(trifluoromethyl)benzene

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-bromo-4-fluoro-1-(trifluoromethyl)benzene
Description:	2-Bromo-4-fluorobenzotrifluoride (CAS# 351003-21-9) is a useful research chemical.
Molecular Weight:	243.00
Molecular Formula:	C7H3BrF4
Canonical SMILES:	C1=CC(=C(C=C1F)Br)C(F)(F)F
InChI:	InChI=1S/C7H3BrF4/c8-6-3-4(9)1-2-5(6)7(10,11)12/h1-3H
InChI Key:	XBBGYSIEJHXPLL-UHFFFAOYSA-N
Boiling Point:	161-162 °C
Purity:	98 %
Density:	1.753 g/cm³
Appearance:	Clear colorless to light yellow liquid
MDL:	MFCD03094041
LogP:	3.60700

Publication Number	Title	Priority Date
US-2021299100-A1	Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors	20200316
WO-2021186324-A1	Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors	20200316
WO-2021053617-A1	Mll1 inhibitors and anti-cancer agents	20190920
WO-2021043322-A1	Azepino pyrimidine derivatives and medical use thereof	20190906
WO-2020244613-A1	2, 4, 6-tri-substituted pyrimidine compound as atr kinase inhibitor	20190606

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Related Functional Groups

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1,2,3,5-Tetrafluorobenzene
[1820736-42-2]
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Halides

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[444581-46-8]
1-Bromo-2-(1,1-difluoroethyl)benzene
[4860-03-1]
1-Chlorohexadecane
[4185-62-0]
2-Bromo-1-nitronaphthalene
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[452-76-6]
2,4-Difluorotoluene
[1597-32-6]
2-Amino-6-fluoropyridine
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[81290-20-2]
Trimethyl(trifluoromethyl)silane
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene

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:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.93543
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	241.93543
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6