2,6-Dimethylbenzonitrile - CAS 6575-13-9

Catalog:	BB032817
Product Name:	2,6-Dimethylbenzonitrile
CAS:	6575-13-9
Synonyms:	2,6-dimethylbenzonitrile; 2,6-dimethylbenzonitrile

Technical Data

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Computed Properties

IUPAC Name:	2,6-dimethylbenzonitrile
Description:	2,6-Dimethylbenzonitrile (CAS# 6575-13-9) is a useful research chemical.
Molecular Weight:	131.17
Molecular Formula:	C9H9N
Canonical SMILES:	CC1=C(C(=CC=C1)C)C#N
InChI:	InChI=1S/C9H9N/c1-7-4-3-5-8(2)9(7)6-10/h3-5H,1-2H3
InChI Key:	QSACPWSIIRFHHR-UHFFFAOYSA-N
Boiling Point:	228.7 °C at 760 mmHg
Density:	0.99 g/cm³
MDL:	MFCD00037166
LogP:	2.17508

Publication Number	Title	Priority Date
CN-111635334-A	Method for generating nitrile by catalyzing primary amine acceptor-free dehydrogenation through Ru complex	20200713
CN-110773144-A	Catalytic system for preparing amide by hydrolyzing cyano and application thereof	20191028
TW-202024235-A	Resin composition, prepreg for printed circuit and metal-clad laminate	20181225
CN-111253404-A	Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof	20181130
WO-2020039128-A1	Aromatic polyethers containing a biosourced furan diol	20180820

PMID	Publication Date	Title	Journal
21849626	20111101	The translational efficacy of a nonsteroidal progesterone receptor antagonist, 4-[3-cyclopropyl-1-(mesylmethyl)-5-methyl-1H-pyrazol-4-yl]oxy,-2,6-dimethylbenzonitrile (PF-02413873), on endometrial growth in macaque and human	The Journal of pharmacology and experimental therapeutics
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

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

GHS Hazard Statement:	H302+H312+H332 (20%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	131.073499291
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	131.073499291
Rotatable Bond Count:	0
Topological Polar Surface Area:	23.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4