2,5-Dibromo-1,3-difluorobenzene - CAS 128259-71-2

Catalog:	BB068154
Product Name:	2,5-Dibromo-1,3-difluorobenzene
CAS:	128259-71-2
Synonyms:	2,5-dibromo-1,3-difluorobenzene; 1,4-Dibromo-3,5-difluorobenzene; Benzene, 2,5-dibromo-1,3-difluoro-; 2,5-Dibromo-1,3-difluoro-benzene

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2,5-dibromo-1,3-difluorobenzene
Description:	2,5-Dibromo-1,3-difluorobenzene is used in the preparation of bicyclohexylylacetylene and bicyclohexyl-containing diyne liquid crystal compounds.
Molecular Weight:	271.88
Molecular Formula:	C6H2Br2F2
Canonical SMILES:	C1=C(C=C(C(=C1F)Br)F)Br
InChI:	InChI=1S/C6H2Br2F2/c7-3-1-4(9)6(8)5(10)2-3/h1-2H
InChI Key:	OCUXAWVQPORIBP-UHFFFAOYSA-N
References:	Li, S., et al. Yejing Yu Xianshi, 22, 1 (2007).

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, 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:	271.84708
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	269.84913
Rotatable Bond Count:	0
Topological Polar Surface Area:	0Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5