1-Indanone - CAS 83-33-0

Name: 1-Indanone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037012
Product Name:	1-Indanone
CAS:	83-33-0
Synonyms:	2,3-dihydroinden-1-one

Technical Data

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Literatures

Computed Properties

IUPAC Name:	2,3-dihydroinden-1-one
Description:	1-Indanone (CAS# 83-33-0) is a useful research chemical compound.
Molecular Weight:	132.16
Molecular Formula:	C9H8O
Canonical SMILES:	C1CC(=O)C2=CC=CC=C21
InChI:	InChI=1S/C9H8O/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChI Key:	QNXSIUBBGPHDDE-UHFFFAOYSA-N
Boiling Point:	243-245 °C
Melting Point:	38-42 °C
Purity:	98.0%
Density:	1.1 g/cm³
Appearance:	Pale yellow liquid
Storage:	Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed.
MDL:	MFCD00003785
LogP:	1.81550

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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
[87-88-7]C6H2Cl2O4
Chloranilic acid
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea

GHS Hazard Statement:	H302 (87.5%): 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
US-10954178-B1	Synthesis of haloindenes	20200828
WO-2021122608-A1	Low-molecular gelling agent as fragrant substance dispensing system	20191220
US-2021189304-A1	Delivery System For Dryer Balls	20191219
US-11046922-B1	2-in-1 unit dose providing softening and detergency	20191217
US-2021179982-A1	2-in-1 Unit Dose Providing Softening And Detergency	20191217

PMID	Publication Date	Title	Journal
22885176	20121009	Antiviral activity against the hepatitis C virus (HCV) of 1-indanone thiosemicarbazones and their inclusion complexes with hydroxypropyl-β-cyclodextrin	European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences
22653971	20120901	Functional and pharmacological characteristics of metabotropic glutamate receptors 2/4 heterodimers	Molecular pharmacology
22765901	20120801	Synthesis and SAR studies of bicyclic amine series GPR119 agonists	Bioorganic & medicinal chemistry letters
22777884	20120723	Novel indanone derivatives as potential imaging probes for β-amyloid plaques in the brain	Chembiochem : a European journal of chemical biology
22633691	20120701	Design, synthesis, and evaluation of indanone derivatives as acetylcholinesterase inhibitors and metal-chelating agents	Bioorganic & medicinal chemistry letters

Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	132.057514874
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	132.057514874
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7