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CAS No.: | 42348-86-7 |
---|---|
Name: | 5-Chloro-1-indanone |
Article Data: | 27 |
Molecular Structure: | |
Formula: | C9H7ClO |
Molecular Weight: | 166.607 |
Synonyms: | 1-Indanone,5-chloro- (7CI);5-Chloro-2,3-dihydro-1H-inden-1-one;5-Chloro-2,3-dihydroinden-1-one; |
EINECS: | 610-016-5 |
Density: | 1.312 g/cm3 |
Melting Point: | 94-98 °C(lit.) |
Boiling Point: | 288.5 °C at 760 mmHg |
Flash Point: | 129.4 °C |
Solubility: | insoluble |
Appearance: | White crystal |
Hazard Symbols: | Xn, Xi |
Risk Codes: | 20/21/22-36/37/38 |
Safety: | 26-36 |
PSA: | 17.07000 |
LogP: | 2.46890 |
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The 5-Chloro-1-indanone, with the CAS registry number 42348-86-7, is also known as 1H-Inden-1-one, 5-chloro-2,3-dihydro-. It belongs to the product categories of Benzocycles; Indane/Indanone and Derivatives; Ketones; Indanone & Indene; C9; Carbonyl Compounds. This chemical's molecular formula is C9H7ClO and molecular weight is 166.60428. Its IUPAC name is called 5-chloro-2,3-dihydroinden-1-one. The product should be sealed and stored in cool and dry place.
Physical properties of 5-Chloro-1-indanone: (1)ACD/LogP: 2.78; (2)ACD/LogD (pH 5.5): 2.78; (3)ACD/LogD (pH 7.4): 2.78; (4)ACD/BCF (pH 5.5): 76.91; (5)ACD/BCF (pH 7.4): 76.91; (6)ACD/KOC (pH 5.5): 779.13; (7)ACD/KOC (pH 7.4): 779.13; (8)#H bond acceptors: 1; (9)Index of Refraction: 1.6; (10)Molar Refractivity: 43.45 cm3; (11)Molar Volume: 126.9 cm3; (12)Surface Tension: 48.3 dyne/cm; (13)Density: 1.312 g/cm3; (14)Flash Point: 129.4 °C; (15)Enthalpy of Vaporization: 52.77 kJ/mol; (16)Boiling Point: 288.5 °C at 760 mmHg; (17)Vapour Pressure: 0.00233 mmHg at 25°C.
Preparation of 5-Chloro-1-indanone: this chemical can be prepared by 3-(3-chloro-phenyl)-propionic acid. This reaction will need reagent polyphosphoric acid. The yield is about 50%.
Uses of 5-Chloro-1-indanone: it can be used to produce 5-chloro-N-methyl-1-indanimine N-oxide with N-methyl-hydroxylamine; hydrochloride at ambient temperature. This reaction will need reagent sodium acetate and solvent ethanol with reaction time of 24 hours. The yield is about 44.1%.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1CC(=O)C2=C1C=C(C=C2)Cl
(2)InChI: InChI=1S/C9H7ClO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2
(3)InChIKey: MEDSHTHCZIOVPU-UHFFFAOYSA-N