2,6-Dimethoxybenzonitrile - CAS 16932-49-3

Catalog:	BB012538
Product Name:	2,6-Dimethoxybenzonitrile
CAS:	16932-49-3
Synonyms:	2,6-dimethoxybenzonitrile; 2,6-dimethoxybenzonitrile

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Computed Properties

IUPAC Name:	2,6-dimethoxybenzonitrile
Description:	2,6-Dimethoxybenzonitrile (CAS# 16932-49-3) is a useful research chemical.
Molecular Weight:	163.17
Molecular Formula:	C9H9NO2
Canonical SMILES:	COC1=C(C(=CC=C1)OC)C#N
InChI:	InChI=1S/C9H9NO2/c1-11-8-4-3-5-9(12-2)7(8)6-10/h3-5H,1-2H3
InChI Key:	XHAHKSSLDJIEDH-UHFFFAOYSA-N
Boiling Point:	310 °C
Density:	1.12 g/cm³
MDL:	MFCD00001788
LogP:	1.57548

Publication Number	Title	Priority Date
TW-201922736-A	Epoxyoxycyclobutane compound, synthesis method thereof and utilization of the compound	20171023
TW-201730311-A	Follower	20150930
TW-201704415-A	Antistatic agent for adhesives	20150728
US-9139696-B1	Aromatic diamines containing three ether-linked-benzonitrile moieties, polymers thereof, and methods of making the same	20140328
JP-2015107948-A	Process for producing aromatic thiazole compound	20131206

PMID	Publication Date	Title	Journal
15606181	20041227	Photochemical expulsion of the neutral monodentate ligand L in Ru(terpy*)(diimine)(L)2+: a dramatic effect of the steric properties of the spectator diimine ligand	Inorganic chemistry

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Related Functional Groups

Nitrogen Compounds

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DBCO-PEG4-NHS ester
[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[2006278-12-0]
2-[(5-Bromo-3-pyridyl)oxy]-2-phenylacetonitrile
[916792-07-9]
2-Bromo-4-fluoro-5-methylbenzonitrile
[1170836-29-9]
3-(1',3'-Dimethyl-5-(trifluoromethyl)-1'H,2H-[3,4'-bipyrazol]-2-yl)propanenitrile

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	172
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.063328530
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	163.063328530
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2