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5-Bromo-1,2,3-trichlorobenzene

5-Bromo-1,2,3-trichlorobenzene - CAS 21928-51-8

Catalog:	BB017211
Product Name:	5-Bromo-1,2,3-trichlorobenzene
CAS:	21928-51-8
Synonyms:	5-bromo-1,2,3-trichlorobenzene; 5-bromo-1,2,3-trichlorobenzene

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-1,2,3-trichlorobenzene
Description:	5-Bromo-1,2,3-trichlorobenzene (CAS# 21928-51-8) is a useful intermediate in the preparation of isoxazole derivatives for controlling parasites, such as Rhipicephalus sanguineous nymphs.
Molecular Weight:	260.34
Molecular Formula:	C6H2BrCl3
Canonical SMILES:	C1=C(C=C(C(=C1Cl)Cl)Cl)Br
InChI:	InChI=1S/C6H2BrCl3/c7-3-1-4(8)6(10)5(9)2-3/h1-2H
InChI Key:	VZUMVBQMJFFYRM-UHFFFAOYSA-N
Boiling Point:	266 °C
Density:	1.84 g/cm³
MDL:	MFCD00155009
LogP:	4.40930

Publication Number	Title	Priority Date
CN-113024390-A	Synthetic method of 3',5' -dichloro-2, 2, 2-trifluoro acetophenone derivative	20210222
CN-112409337-A	Substituted pyrazine derivative and application thereof	20201221
CN-112876345-A	Preparation method of halogenated trifluoroacetyl benzene	20201026
WO-2021152435-A1	Process for preparation of 5-bromo-1, 2, 3-trichlorobenzene	20200127
CN-112786816-A	Organic electroluminescent device and polycyclic compound for organic electroluminescent device	20191108

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GHS Hazard Statement:	H302 (80.41%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	108
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.7