1-Bromoundecane - CAS 693-67-4

Catalog:	BB033791
Product Name:	1-Bromoundecane
CAS:	693-67-4
Synonyms:	1-bromoundecane

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-bromoundecane
Description:	1-Bromoundecane (CAS# 693-67-4) is a reagent used in the preparation of Grignard reagent by reacting with Mg in tetrahydrofuran.
Molecular Weight:	235.20
Molecular Formula:	C11H23Br
Canonical SMILES:	CCCCCCCCCCCBr
InChI:	InChI=1S/C11H23Br/c1-2-3-4-5-6-7-8-9-10-11-12/h2-11H2,1H3
InChI Key:	IKPSIIAXIDAQLG-UHFFFAOYSA-N
Boiling Point:	259.2 °C at 760 mmHg
Melting Point:	-9 °C (lit.)
Purity:	95 %
Density:	1.054 g/cm³
Appearance:	Colourless liquid
MDL:	MFCD00000223
LogP:	4.91210

Publication Number	Title	Priority Date
CN-113321830-A	Photoresponse erasable polymer paper and preparation method thereof	20210607
CN-113292401-A	Preparation method of higher fatty alcohol 2-alkoxy ethanol	20210518
CN-113004223-A	Method for synthesizing (3Z,6Z,9S,10R) -9, 10-epoxy-3, 6-heneicosene	20210208
CN-112661725-A	Synthetic method of sex pheromone of fall webworm	20201223
CN-111574686-A	Star-shaped multi-response shape memory polyurethane composite material and preparation method thereof	20200610

PMID	Publication Date	Title	Journal
21582253	20090225	n-Undeca-nyl 2-(4-chloro-anilino)-4,4-dimethyl-6-oxocyclo-hex-1-ene-carbo-dithio-ate	Acta crystallographica. Section E, Structure reports online
21582254	20090225	n-Undeca-nyl 2-(4-bromo-anilino)-4,4-dimethyl-6-oxocyclo-hex-1-ene-carbodithio-ate	Acta crystallographica. Section E, Structure reports online
21582255	20090225	n-Undeca-nyl 2-(2,4-dichloro-anilino)-4,4-dimethyl-6-oxocyclo-hex-1-ene-carbo-dithio-ate	Acta crystallographica. Section E, Structure reports online
21202630	20080521	1,2-Bis(undecyl-sulfan-yl)benzene	Acta crystallographica. Section E, Structure reports online
11722204	20011130	Synthesis of gem-dideuterated tetradecanoic acids and their use in investigating the enzymatic transformation of (Z)-11-tetradecenoic acid into (E,E)-10,12-tetradecadienoic acid	The Journal of organic chemistry

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Related Functional Groups

Halides

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GHS Hazard Statement:	H315 (100%): 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:	71.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.09831
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.09831
Rotatable Bond Count:	9
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.5