1-Bromo-2,4,5-trichlorobenzene - CAS 29682-44-8

Name: 1-Bromo-2,4,5-trichlorobenzene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020278
Product Name:	1-Bromo-2,4,5-trichlorobenzene
CAS:	29682-44-8
Synonyms:	1-bromo-2,4,5-trichlorobenzene; 1-bromo-2,4,5-trichlorobenzene

Technical Data

IUPAC Name:	1-bromo-2,4,5-trichlorobenzene
Description:	1-Bromo-2,4,5-trichlorobenzene (CAS# 29682-44-8) is used as a reagent in the synthesis of pyrrolnitrin analogs used for the design of agricultural fungicides. It also used as a reagent in the synthesis of dioxin-like monofluorinated polychlorinated biphenyls (PCBs) for the use as internal standards in PCB analysis.
Molecular Weight:	260.34
Molecular Formula:	C6H2BrCl3
Canonical SMILES:	C1=C(C(=CC(=C1Cl)Br)Cl)Cl
InChI:	InChI=1S/C6H2BrCl3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H
InChI Key:	PHDKZIIWDGIUCG-UHFFFAOYSA-N
Boiling Point:	268.9 °C at 760 mmHg
Density:	1.84 g/cm³
MDL:	MFCD00155012
LogP:	4.40930

Publication Number	Title	Priority Date
CN-113004142-A	Novel preparation method of 2,4, 5-trifluoro-phenylacetic acid	20201228
CA-2980345-A1	Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto	20150417
CA-2980351-A1	Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto	20150417
CA-2980356-A1	Molecules having pesticidal utility, and intermediates, compositions, and processes, related thereto	20150417
CN-107466291-A	Molecule with desinsection effectiveness, and relative intermediate, composition and method	20150417

Complexity:	120
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	257.84055
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	257.84055
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.5