1,4-DIMETHYLNAPHTHALENE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H12
Molecular Weight	156.2237
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CC1=C2C=CC=CC2=C(C)C=C1

InChI

InChIKey=APQSQLNWAIULLK-UHFFFAOYSA-N

InChI=1S/C12H12/c1-9-7-8-10(2)12-6-4-3-5-11(9)12/h3-8H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H12
Molecular Weight	156.2237
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

PubMed

Show entries

Title	Date	PubMed
Estimates of internal energies of vaporisation of some room temperature ionic liquids.	2004 Oct 7	15467860
Predictive three-dimensional quantitative structure-activity relationship of cytochrome P450 1A2 inhibitors.	2005 Jun 2	15916432
Disorder-to-order transition of 1,4-dimethylnaphthalene: Formation of molecular complex with water and p-xylene on Al2O3 (0001).	2006 Oct 12	17020358
Metal-organic frameworks as high-potential adsorbents for liquid-phase separations of olefins, alkylnaphthalenes and dichlorobenzenes.	2009 Apr 28	19421505
Yields of glyoxal and ring-cleavage co-products from the OH radical-initiated reactions of naphthalene and selected alkylnaphthalenes.	2009 Nov 15	20028051

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Substance Class	Chemical
Record UNII	BQH3S1I0SO
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

NSC-61779

Preferred Name

English

1,4-DIMETHYLNAPHTHALENE

Systematic Name

English

NAPHTHALENE, 1,4-DIMETHYL-

Systematic Name

English

DIMETHYLNAPHTHALENE, 1,4-

Systematic Name

English

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Classification Tree

Code System

Code

EPA PESTICIDE

EPA PESTICIDE CODE

55802

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Code System

Code

Type

Description

CAS

571-58-4

PRIMARY

FDA UNII

BQH3S1I0SO

PRIMARY

NSC

61779

PRIMARY

CHEBI

48609

PRIMARY

PUBCHEM

11304

PRIMARY

Showing 1 to 5 of 8 entries

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