5,7-Dichloro-1-indanone - CAS 448193-94-0

Name: 5,7-Dichloro-1-indanone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB025710
Product Name:	5,7-Dichloro-1-indanone
CAS:	448193-94-0
Synonyms:	5,7-dichloro-2,3-dihydroinden-1-one

Technical Data

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Patents

Computed Properties

IUPAC Name:	5,7-dichloro-2,3-dihydroinden-1-one
Description:	5,7-Dichloro-1-indanone (CAS# 448193-94-0) is a useful research chemical.
Molecular Weight:	201.05
Molecular Formula:	C9H6Cl2O
Canonical SMILES:	C1CC(=O)C2=C(C=C(C=C21)Cl)Cl
InChI:	InChI=1S/C9H6Cl2O/c10-6-3-5-1-2-8(12)9(5)7(11)4-6/h3-4H,1-2H2
InChI Key:	TWNXYJNWNZZECV-UHFFFAOYSA-N
Boiling Point:	340.253 °C at 760 mmHg
Density:	1.447 g/cm³
Solubility:	Slightly soluble in water.
Appearance:	White to tan solid
LogP:	3.12230

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[956439-56-8]C6H5N3O6
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CA-3016124-A1	Carbamate derivative compounds, processes for preparing them and their uses	20160229
EP-3423431-A1	Carbamate derivative compounds, processes for preparing them and their uses	20160229
JP-2019508430-A	Carbamate derivative compound, method for producing the same and use thereof	20160229
US-2018057449-A1	Carbamate derivative compounds, processes for preparing them and their uses	20160229
WO-2017150904-A1	Carbamate derivative compounds, processes for preparing them and their uses	20160229

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.9795702
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	199.9795702
Rotatable Bond Count:	0
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9