1-Bromodecane - CAS 112-29-8

Name: 1-Bromodecane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	1-bromodecane
Description:	1-Bromodecane (CAS# 112-29-8) is used to react with Mg to prepare Grignard reagents which play an important role in formation of carbon-carbon bond. It is also used in preparation of biodegradable cationic gemini surfactants.
Molecular Weight:	221.18
Molecular Formula:	C10H21Br
Canonical SMILES:	CCCCCCCCCCBr
InChI:	InChI=1S/C10H21Br/c1-2-3-4-5-6-7-8-9-10-11/h2-10H2,1H3
InChI Key:	MYMSJFSOOQERIO-UHFFFAOYSA-N
Boiling Point:	238 °C
Melting Point:	-29.6 °C
Purity:	98 %
Density:	1.06 g/cm³
Appearance:	Colorless to light yellow liqui
Storage:	Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00000221
LogP:	4.52200
Vapor Pressure:	0.04 [mmHg]

GHS Hazard Statement:	H315 (13.46%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P391, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
22346763	20120201	A regulatory network for coordinated flower maturation	PLoS genetics
22219967	20111101	1-Decyl-6-nitro-1H-benzimidazol-2(3H)-one	Acta crystallographica. Section E, Structure reports online
21905092	20111001	Growth of a tropical marine yeast Yarrowia lipolytica NCIM 3589 on bromoalkanes: relevance of cell size and cell surface properties	Yeast (Chichester, England)
22064906	20110901	2-[3-(1H-Benzimidazol-2-yl)prop-yl]-1-decyl-1H-benzimidazole	Acta crystallographica. Section E, Structure reports online
21566798	20110210	Synthesis of 1-substituted carbazolyl-1,2,3,4-tetrahydro- and carbazolyl-3,4-dihydro-β-carboline analogs as potential antitumor agents	Marine drugs

Complexity:	61.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.08266
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.08266
Rotatable Bond Count:	8
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6