Methanone,(4-bromophenyl)cyclopropyl- (6952-89-2)

The (4-Bromophenyl)cyclopropylmethanone, with CAS registry number 6952-89-2, has the systematic name of (4-bromophenyl)(cyclopropyl)methanone. And its IUPAC name is the same one. This chemical should be stored in cool, dry place in tightly closed containers. What's more, its EINECS is 230-130-5.

Physical properties of (4-Bromophenyl)cyclopropylmethanone: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.8; (4)ACD/LogD (pH 7.4): 2.8; (5)ACD/BCF (pH 5.5): 78.62; (6)ACD/BCF (pH 7.4): 78.62; (7)ACD/KOC (pH 5.5): 791.46; (8)ACD/KOC (pH 7.4): 791.46; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 51.17 cm³; (15)Molar Volume: 146.4 cm³; (16)Polarizability: 20.28×10^-24cm³; (17)Surface Tension: 50.4 dyne/cm; (18)Enthalpy of Vaporization: 54.82 kJ/mol; (19)Vapour Pressure: 0.00072 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-bromophenyl cyclopropyl ketone. This reaction will need reagent KOH and solvent methanol. The yield is about 44.1%.

Uses of (4-Bromophenyl)cyclopropylmethanone: it can be used to produce 4-cyclopropanecarbonyl-benzonitrile. This reaction will need reagent dimethylformamide. The reaction time is 4 hour(s). The yield is about 85%.

When you are using this chemical, please be cautious about it as the following:
The (4-Bromophenyl)cyclopropylmethanone irritates to eyes, respiratory system and skin. And this chemical is harmful by inhalation, in contact with skin and if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(Br)cc1)C2CC2
(2)InChI: InChI=1/C10H9BrO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2
(3)InChIKey: QTHHOINSCNBYQO-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C10H9BrO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7H,1-2H2
(5)Std. InChIKey: QTHHOINSCNBYQO-UHFFFAOYSA-N