7-Chloro-1-tetralone - CAS 26673-32-5

Catalog:	BB019342
Product Name:	7-Chloro-1-tetralone
CAS:	26673-32-5
Synonyms:	7-chloro-3,4-dihydro-2H-naphthalen-1-one; 7-chloro-3,4-dihydro-2H-naphthalen-1-one

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Computed Properties

IUPAC Name:	7-chloro-3,4-dihydro-2H-naphthalen-1-one
Description:	7-Chloro-1-tetralone (CAS# 26673-32-5) is a useful research chemical.
Molecular Weight:	180.63
Molecular Formula:	C10H9ClO
Canonical SMILES:	C1CC2=C(C=C(C=C2)Cl)C(=O)C1
InChI:	InChI=1S/C10H9ClO/c11-8-5-4-7-2-1-3-10(12)9(7)6-8/h4-6H,1-3H2
InChI Key:	IIMAYXKDBHTQHC-UHFFFAOYSA-N
Boiling Point:	297.2 °C at 760 mmHg
Density:	1.248 g/cm³
LogP:	2.85900

Publication Number	Title	Priority Date
CN-111116436-A	Synthetic method of thioether compound containing 1, 4-naphthoquinone structure	20200117
CN-111116436-B	Synthetic method of thioether compound containing 1, 4-naphthoquinone structure	20200117
CN-113121626-A	Macrolide compound, synthesis method, pharmaceutical composition and application thereof	20200110
WO-2021113806-A1	Arylamides and methods of use thereof	20191205
WO-2021113808-A1	Cftr-modulating arylamides	20191205

PMID	Publication Date	Title	Journal
21577651	20090826	2,2,7-Trichloro-3,4-dihydro-naphthalen-1(2H)-one	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	190
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	180.0341926
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	180.0341926
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7