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4-Bromo-2-chlorobenzotrifluoride

4-Bromo-2-chlorobenzotrifluoride - CAS 467435-07-0

Catalog:	BB026174
Product Name:	4-Bromo-2-chlorobenzotrifluoride
CAS:	467435-07-0
Synonyms:	4-bromo-2-chloro-1-(trifluoromethyl)benzene; 4-bromo-2-chloro-1-(trifluoromethyl)benzene

Technical Data

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Computed Properties

IUPAC Name:	4-bromo-2-chloro-1-(trifluoromethyl)benzene
Description:	4-Bromo-2-chlorobenzotrifluoride (CAS# 467435-07-0) is a useful research chemical.
Molecular Weight:	259.45
Molecular Formula:	C7H3BrClF3
Canonical SMILES:	C1=CC(=C(C=C1Br)Cl)C(F)(F)F
InChI:	InChI=1S/C7H3BrClF3/c8-4-1-2-5(6(9)3-4)7(10,11)12/h1-3H
InChI Key:	FJANWAMBKVZTRG-UHFFFAOYSA-N
Boiling Point:	224.1 °C at 760 mmHg
Density:	1.717 g/cm³
MDL:	MFCD08459292
LogP:	4.12130

Publication Number	Title	Priority Date
WO-2021191390-A1	Azaspirocycles as monoacylglycerol lipase modulators	20200326
US-2021317079-A1	Tetralin and tetrahydroquinoline compounds as inhibitors of hif-2alpha	20200319
WO-2021188769-A1	Tetralin and tetrahydroquinoline compounds as inhibitors of hif-2alpha	20200319
JP-2021119176-A	Cyclic peptide compound with Kras inhibitory effect	20191107
JP-6880352-B1	Cyclic peptide compound with Kras inhibitory effect	20191107

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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:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.90587
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	257.90587
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1