1,11-Dibromoundecane - CAS 16696-65-4

Catalog:	BB012344
Product Name:	1,11-Dibromoundecane
CAS:	16696-65-4
Synonyms:	1,11-dibromoundecane

Technical Data

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Computed Properties

IUPAC Name:	1,11-dibromoundecane
Description:	1,11-Dibromoundecane (CAS# 16696-65-4) is a reagent used in the synthesis of semiconducting polymer blends for efficient charge transport.
Molecular Weight:	314.10
Molecular Formula:	C11H22Br2
Canonical SMILES:	C(CCCCCBr)CCCCCBr
InChI:	InChI=1S/C11H22Br2/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2
InChI Key:	SIBVHGAPHVRHMJ-UHFFFAOYSA-N
Boiling Point:	190-192 ℃18 mmHg (lit.)
Melting Point:	-10.6 ℃ (lit.)
Purity:	95 %
Density:	1.335 g/cm³
Appearance:	Colorless to yellow-green liquid
MDL:	MFCD00000224
LogP:	5.28710

Publication Number	Title	Priority Date
CN-113150214-A	Preparation method of self-repairing antibacterial hydrogel containing imidazolium salt	20210428
CN-112110902-A	1-deoxynojirimycin-kaempferol compound, intermediate, preparation method and application	20200917
CN-111925702-A	Photocurable coating containing hyperbranched polyester ether type photocureable resin and preparation method thereof	20200825
CN-111925702-B	Photocurable coating containing hyperbranched polyester ether type photocureable resin and preparation method thereof	20200825
CN-111150173-A	Shock attenuation sole and shock attenuation shoes	20200121

PMID	Publication Date	Title	Journal
19714254	20090828	Selective and irreversible inhibitors of mosquito acetylcholinesterases for controlling malaria and other mosquito-borne diseases	PloS one
19194505	20090101	Selective and irreversible inhibitors of aphid acetylcholinesterases: steps toward human-safe insecticides	PloS one

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Complexity:	74.2
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	314.00678
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	312.00883
Rotatable Bond Count:	10
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.4