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2-Bromo-1-indanone

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Name

2-Bromo-1-indanone

EINECS 627-652-4
CAS No. 1775-27-5 Density 1.631 g/cm3
PSA 17.07000 LogP 2.18890
Solubility N/A Melting Point 39-44 °C
Formula C9H7BrO Boiling Point 283.9 °C at 760 mmHg
Molecular Weight 211.058 Flash Point 106.1 °C
Transport Information UN 1759 Appearance white to light yellow crystal powder
Safety 24/25-36/37/39-27-26 Risk Codes 36/37/38-34
Molecular Structure Molecular Structure of 1775-27-5 (2-Bromo-1-indanone) Hazard Symbols CorrosiveC
Synonyms

1-Indanone,2-bromo- (6CI,7CI,8CI);2-bromo-2,3-dihydro-1H-inden-1-one;2-Bromoindanone;1H-inden-1-one, 2-bromo-2,3-dihydro-;2-Brom-2,3-dihydro-1H-inden-1-on;2-Bromo-1-Indanone;2-Bromoindan-1-one;

Article Data 70

2-Bromo-1-indanone Specification

The 1H-Inden-1-one,2-bromo-2,3-dihydro-, with the CAS registry number 1775-27-5, has the systematic name of 2-bromo-2,3-dihydro-1H-inden-1-one. And the molecular formula of this chemical is C9H7BrO. It is a kind of white to light yellow crystal powder, and belongs to the following product categories: Heterocycles series; Indanone & Indene; Fused Ring Systems; Halides; C9; Carbonyl Compounds; Ketones. 

The physical properties of 1H-Inden-1-one,2-bromo-2,3-dihydro- are as following: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.45; (4)ACD/LogD (pH 7.4): 2.45; (5)ACD/BCF (pH 5.5): 42.93; (6)ACD/BCF (pH 7.4): 42.93; (7)ACD/KOC (pH 5.5): 513.26; (8)ACD/KOC (pH 7.4): 513.26; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 46.34 cm3; (15)Molar Volume: 129.3 cm3; (16)Polarizability: 18.37×10-24cm3; (17)Surface Tension: 52.6 dyne/cm; (18)Density: 1.631 g/cm3; (19)Flash Point: 106.1 °C; (20)Enthalpy of Vaporization: 52.28 kJ/mol; (21)Boiling Point: 283.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00308 mmHg at 25°C.

Uses of 1H-Inden-1-one,2-bromo-2,3-dihydro-: It can react with benzenethiol; sodium salt to produce 2-phenylsulfanyl-indan-1-one. This reaction will need solvents tetrahydrofuran and H2O. The reaction time is 1 hour with temperature of 20°C, and the yield is about 69%.

1H-Inden-1-one,2-bromo-2,3-dihydro- can react with benzenethiol; sodium salt to produce 2-phenylsulfanyl-indan-1-one

You should be cautious while dealing with this chemical. It irritates eyes, respiratory system and skin, and may also cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Avoid contact with skin and eyes; Take off immediately all contaminated clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1CC2Br
(2)InChI: InChI=1/C9H7BrO/c10-8-5-6-3-1-2-4-7(6)9(8)11/h1-4,8H,5H2
(3)InChIKey: UXVCSPSWUNMPMT-UHFFFAOYAT

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