2-Ethylnaphthalene - CAS 939-27-5

Catalog:	BB041132
Product Name:	2-Ethylnaphthalene
CAS:	939-27-5
Synonyms:	2-ethylnaphthalene

Technical Data

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Computed Properties

IUPAC Name:	2-ethylnaphthalene
Description:	2-Ethylnaphthalene (CAS# 939-27-5) is a useful research chemical.
Molecular Weight:	156.22
Molecular Formula:	C12H12
Canonical SMILES:	CCC1=CC2=CC=CC=C2C=C1
InChI:	InChI=1S/C12H12/c1-2-10-7-8-11-5-3-4-6-12(11)9-10/h3-9H,2H2,1H3
InChI Key:	RJTJVVYSTUQWNI-UHFFFAOYSA-N
Boiling Point:	251-252 °C (lit.)
Melting Point:	-70 °C (lit.)
Flash Point:	220 °F
Purity:	99 %
Density:	0.992 g/mL at 25 °C (lit.)
Appearance:	Colorless liquid.
LogP:	3.40220
Vapor Pressure:	0.03 [mmHg]

Publication Number	Title	Priority Date
JP-6942404-B1	Power generation elements, power generation equipment, electronic devices, power generation methods, and manufacturing methods of power generation elements	20210705
JP-2021073185-A	Its use in novel conjugates and specific conjugation of biomolecules with drugs	20201224
CN-112461941-A	Diesel family boundary substance mixed standard solution and preparation method thereof	20200930
CN-112630312-A	Method for detecting polycyclic aromatic hydrocarbon in diesel oil by using full two-dimensional gas chromatography-hydrogen flame ionization detector	20200930
JP-2021006531-A	Cross-linked conjugate for conjugation of cell-binding molecules	20200901

PMID	Publication Date	Title	Journal
21780292	20111104	Alkylation effects on the energy transfer of highly vibrationally excited naphthalene	Chemistry, an Asian journal
19110342	20090501	Exploring QSAR and QAAR for inhibitors of cytochrome P450 2A6 and 2A5 enzymes using GFA and G/PLS techniques	European journal of medicinal chemistry
18380521	20080801	Predicting survival of grass shrimp (Palaemonetes pugio) exposed to naphthalene, fluorene, and dibenzothiophene	Environmental toxicology and chemistry
17471388	20070501	Equilibrium in-fiber standardization method for determination of sample volume by solid phase microextraction	The Analyst
17533842	20070415	Dicarbonyl products of the OH radical-initiated reactions of naphthalene and the Cl- and C2-alkylnaphthalenes	Environmental science & technology

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Complexity:	139
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.093900383
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	156.093900383
Rotatable Bond Count:	1
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4