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| CAS No.: | 1775-27-5 |
|---|---|
| Name: | 2-Bromo-1-indanone |
| Article Data: | 70 |
| Molecular Structure: | |
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| Formula: | C9H7BrO |
| Molecular Weight: | 211.058 |
| 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; |
| EINECS: | 627-652-4 |
| Density: | 1.631 g/cm3 |
| Melting Point: | 39-44 °C |
| Boiling Point: | 283.9 °C at 760 mmHg |
| Flash Point: | 106.1 °C |
| Appearance: | white to light yellow crystal powder |
| Hazard Symbols: |
 C
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| Risk Codes: | 36/37/38-34 |
| Safety: | 24/25-36/37/39-27-26 |
| Transport Information: | UN 1759 |
| PSA: | 17.07000 |
| LogP: | 2.18890 |
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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%.
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