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3-Bromo-5-chlorobenzotrifluoride

3-Bromo-5-chlorobenzotrifluoride - CAS 928783-85-1

Catalog:	BB040695
Product Name:	3-Bromo-5-chlorobenzotrifluoride
CAS:	928783-85-1
Synonyms:	1-bromo-3-chloro-5-(trifluoromethyl)benzene; 1-bromo-3-chloro-5-(trifluoromethyl)benzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-3-chloro-5-(trifluoromethyl)benzene
Description:	3-Bromo-5-chlorobenzotrifluoride (CAS# 928783-85-1) is a useful research chemical.
Molecular Weight:	259.45
Molecular Formula:	C7H3BrClF3
Canonical SMILES:	C1=C(C=C(C=C1Cl)Br)C(F)(F)F
InChI:	InChI=1S/C7H3BrClF3/c8-5-1-4(7(10,11)12)2-6(9)3-5/h1-3H
InChI Key:	QRPRXRQFNNXPBA-UHFFFAOYSA-N
Boiling Point:	181.6 °C at 760 mmHg
Density:	1.717 g/cm³
MDL:	MFCD09260894
LogP:	4.12130

Publication Number	Title	Priority Date
CN-112110790-A	Preparation method of 3, 5-dihalo trifluorotoluene and 3 '-chloro-5' - (trifluoromethyl) phenyl trifluoroacetone	20200928
WO-2021072369-A1	Lpxh targeting compounds, compositions thereof, and methods of making and using the same	20191011
EP-3782997-A1	Fused pyrimidine compounds and pharmaceutical compositions thereof for the treatment of fibrotic diseases	20190819
WO-2020160213-A1	Heteroarylmethylene derivatives as dna polymerase theta inhibitors	20190131
WO-2020081572-A1	Transcriptional enhanced associate domain (tead) transcription factor inhibitors and uses thereof	20181015

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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