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1,3-Dibromo-2-chloro-5-fluorobenzene

1,3-Dibromo-2-chloro-5-fluorobenzene - CAS 179897-90-6

Catalog:	BB013612
Product Name:	1,3-Dibromo-2-chloro-5-fluorobenzene
CAS:	179897-90-6
Synonyms:	1,3-dibromo-2-chloro-5-fluorobenzene; 1,3-dibromo-2-chloro-5-fluorobenzene

Technical Data

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Computed Properties

IUPAC Name:	1,3-dibromo-2-chloro-5-fluorobenzene
Description:	1,3-Dibromo-2-chloro-5-fluorobenzene (CAS# 179897-90-6) is a useful research chemical.
Molecular Weight:	288.34
Molecular Formula:	C6H2Br2ClF
Canonical SMILES:	C1=C(C=C(C(=C1Br)Cl)Br)F
InChI:	InChI=1S/C6H2Br2ClF/c7-4-1-3(10)2-5(8)6(4)9/h1-2H
InChI Key:	PZKDJJMHRYNBOR-UHFFFAOYSA-N
Boiling Point:	260.3 °C at 760 mmHg
Density:	2.089 g/cm³
MDL:	MFCD00061122
LogP:	4.00410

Publication Number	Title	Priority Date
CN-112614952-A	Organic electroluminescent device and display device	20201215
WO-2021151532-A1	Organic molecules for optoelectronic devices	20200128
CN-112952027-A	Organic electroluminescent device and polycyclic compound for organic electroluminescent device	20191210
KR-20210073694-A	Organic electroluminescence device and polycyclic compound for organic electroluminescence device	20191210
US-2021175423-A1	Organic electroluminescence device and polycyclic compound for organic electroluminescence device	20191210

PMID	Publication Date	Title	Journal
19299868	20090401	Significant progress in predicting the crystal structures of small organic molecules--a report on the fourth blind test	Acta crystallographica. Section B, Structural science

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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:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	287.81753
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	285.81958
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4