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4,4-Dimethyl-3,4-dihydronaphthalen-1(2H)-one

4,4-Dimethyl-3,4-dihydronaphthalen-1(2H)-one - CAS 2979-69-3

Name: 4,4-Dimethyl-3,4-dihydronaphthalen-1(2H)-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB020325
Product Name:	4,4-Dimethyl-3,4-dihydronaphthalen-1(2H)-one
CAS:	2979-69-3
Synonyms:	4,4-dimethyl-2,3-dihydronaphthalen-1-one; 4,4-dimethyl-2,3-dihydronaphthalen-1-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,4-dimethyl-2,3-dihydronaphthalen-1-one
Description:	Intermediate in the production of high affinity retinoic acid receptor (RAR) antagonists.
Molecular Weight:	174.24
Molecular Formula:	C12H14O
Canonical SMILES:	CC1(CCC(=O)C2=CC=CC=C21)C
InChI:	InChI=1S/C12H14O/c1-12(2)8-7-11(13)9-5-3-4-6-10(9)12/h3-6H,7-8H2,1-2H3
InChI Key:	NHDVZOXPHYFANX-UHFFFAOYSA-N
Boiling Point:	274.3 °C at 760 mmHg
Density:	1.017 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00089606
LogP:	2.94070

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-110467596-A	The crystal of tetralyl urea derivative	20180511
WO-2019215937-A1	Crystals of tetrahydronaphthyl urea derivative	20180511
WO-2019189717-A1	Method for producing tetrahydronaphthylurea derivative	20180330
JP-WO2019189717-A1	Method for producing tetrahydronaphthylurea derivative	20180330
KR-20200052938-A	Determination of tetrahydronaphthylurea derivatives	20170915

Complexity:	217
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.104465066
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.104465066
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9