3,5-Dimethylanisole - CAS 874-63-5

Name: 3,5-Dimethylanisole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	1-methoxy-3,5-dimethylbenzene
Description:	3,5-Dimethylanisole (CAS# 874-63-5) is a useful research chemical.
Molecular Weight:	136.19
Molecular Formula:	C9H12O
Canonical SMILES:	CC1=CC(=CC(=C1)OC)C
InChI:	InChI=1S/C9H12O/c1-7-4-8(2)6-9(5-7)10-3/h4-6H,1-3H3
InChI Key:	JCHJBEZBHANKGA-UHFFFAOYSA-N
Boiling Point:	193 °C
Melting Point:	-0.2 °C
Purity:	95 %
Density:	0.963 g/cm³
Appearance:	Clear colourless liquid
Storage:	Keep away from heat, sparks, and flame. Keep away from sources of ignition. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
MDL:	MFCD00008398
LogP:	2.31200

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-113429302-A	Naphthofluorene derivative, luminescent material, luminescent element and consumer product	20210827
CN-113429348-A	Anthracene imidazole derivative, organic electroluminescent material and consumer product	20210827
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CN-113429393-A	Anthracene-indole derivative, material for organic electroluminescent element, light-emitting element, and consumer product	20210826
CN-113429395-A	Imidazole derivative, organic electroluminescent material, light-emitting element, and consumer product	20210727

PMID	Publication Date	Title	Journal
19658130	20090914	Experimental and computational studies on the iridium activation of aliphatic and aromatic C-H bonds of alkyl aryl ethers and related molecules	Chemistry (Weinheim an der Bergstrasse, Germany)
19551209	20090714	Photophysics of manisyl-substituted 2-pyridin-2-yl-1,10-phenanthrolines. Dual emission dependent on structure and solvent	Physical chemistry chemical physics : PCCP
16706453	20060525	Theoretical and spectroscopic study of the effect of ring substitution on the adsorption of anisole on platinum	The journal of physical chemistry. B
16106292	20050907	Synthesis of achiral and racemic catenanes based on terpyridine and a directionalized terpyridine mimic, pyridyl-phenanthroline	Organic & biomolecular chemistry

Complexity:	90.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	136.088815002
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	136.088815002
Rotatable Bond Count:	1
Topological Polar Surface Area:	9.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7