1-Chlorotetradecane - CAS 2425-54-9

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

Catalog:	BB018390
Product Name:	1-Chlorotetradecane
CAS:	2425-54-9
Synonyms:	1-chlorotetradecane

Technical Data

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Computed Properties

IUPAC Name:	1-chlorotetradecane
Description:	1-Chlorotetradecane (CAS# 2425-54-9) is a useful synthetic intermediate. It is an intermediate used to prepare Dimethyldimyristyl ammonium chloride (D472560), a surfactant.
Molecular Weight:	232.83
Molecular Formula:	C14H29Cl
Canonical SMILES:	CCCCCCCCCCCCCCCl
InChI:	InChI=1S/C14H29Cl/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2-14H2,1H3
InChI Key:	RNHWYOLIEJIAMV-UHFFFAOYSA-N
Boiling Point:	295 °C
Density:	0.86 g/cm³
Appearance:	Liquid
MDL:	MFCD00000958
LogP:	5.92630

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Related Functional Groups

Halides

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2,4-Dichloro-3,6-dimethylquinoline

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

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PMID	Publication Date	Title	Journal
20491492	20100617	Nucleation of an oil phase in a nonionic microemulsion-containing chlorinated oil upon systematic temperature quench	The journal of physical chemistry. B
20432151	20100501	Identification of volatile organic compounds in leaves, roots and gum of Astragalus compactus Lam. using solid phase microextraction followed by GC-MS analysis	Natural product research
19438277	20090521	Phase behavior and kinetics of phase separation of a nonionic microemulsion of C12E5/water/1-chlorotetradecane upon a temperature quench	The journal of physical chemistry. B

Complexity:	102
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.1957786
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	232.1957786
Rotatable Bond Count:	12
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	7.9