7-Nitro-1-tetralone - CAS 40353-34-2

Catalog:	BB024464
Product Name:	7-Nitro-1-tetralone
CAS:	40353-34-2
Synonyms:	7-nitro-3,4-dihydro-2H-naphthalen-1-one; 7-nitro-3,4-dihydro-2H-naphthalen-1-one

Technical Data

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Computed Properties

IUPAC Name:	7-nitro-3,4-dihydro-2H-naphthalen-1-one
Description:	7-Nitro-1-tetralone (CAS# 40353-34-2) is a useful research chemical.
Molecular Weight:	191.18
Molecular Formula:	C10H9NO3
Canonical SMILES:	C1CC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1
InChI:	InChI=1S/C10H9NO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6H,1-3H2
InChI Key:	GWAQYWSNCVEJMW-UHFFFAOYSA-N
Boiling Point:	349.1 °C at 760 mmHg
Density:	1.322 g/cm³
Appearance:	Brown powder
MDL:	MFCD00019661
LogP:	2.63700

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-2021065893-A1	Tetralin derivative or pharmaceutically acceptable acid addition salt thereof	20190930
US-2020172717-A1	Elastomeric Formulations Comprising Branched EPDM Polymers	20181129

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GHS Hazard Statement:	H302 (95%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.058243149
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.058243149
Rotatable Bond Count:	0
Topological Polar Surface Area:	62.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9