1-Bromo-3-chlorobenzene - CAS 108-37-2

Catalog:	BB002260
Product Name:	1-Bromo-3-chlorobenzene
CAS:	108-37-2
Synonyms:	1-bromo-3-chlorobenzene

Technical Data

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Computed Properties

IUPAC Name:	1-bromo-3-chlorobenzene
Description:	1-Bromo-3-chlorobenzene (CAS# 108-37-2) is a useful research chemical.
Molecular Weight:	191.45
Molecular Formula:	C6H4BrCl
Canonical SMILES:	C1=CC(=CC(=C1)Br)Cl
InChI:	InChI=1S/C6H4BrCl/c7-5-2-1-3-6(8)4-5/h1-4H
InChI Key:	JRGGUPZKKTVKOV-UHFFFAOYSA-N
Boiling Point:	195-197 °C
Melting Point:	-21.5 °C
Purity:	97 %
Density:	1.63 g/cm³
Appearance:	Clear colourless to light yellow liquid
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD00000568
LogP:	3.10250

Publication Number	Title	Priority Date
WO-2021127301-A1	4-phenyl-n-(phenyl)thiazol-2-amine derivatives and related compounds as aryl hydrocarbon receptor (ahr) agonists for the treatment of e.g. angiogenesis implicated or inflammatory disorders	20191220
US-2021193927-A1	Heterocyclic compound, organic light-emitting device including heterocyclic compound, and electronic device including organic light-emitting device	20191218
WO-2021124219-A1	Separating aromatic isomers using aqueous solutions of cucurbituril macrocycles	20191217
WO-2021107705-A1	Heterocyclic compound and organic light-emitting device comprising same	20191129
WO-2021107711-A1	Polycyclic compound and organic light-emitting element comprising same	20191129

PMID	Publication Date	Title	Journal
22685432	20120101	Triarylmethanes, a new class of cx50 inhibitors	Frontiers in pharmacology

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GHS Hazard Statement:	H315 (96.23%): 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:	74.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.91849
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	189.91849
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7