CAS No.822-85-5,2-BROMO-CYCLOHEXANONE Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	822-85-5
Name:	2-BROMO-CYCLOHEXANONE
Article Data:	164

Formula:	C₆H₉BrO
Molecular Weight:	177.041
Synonyms:	Cyclohexanone,2-bromo-, (?à)-;(?à)-2-Bromo-1-cyclohexanone;2-Bromo-1-cyclohexanone;2-Bromocyclohexanone;a-Bromocyclohexanone;a-Monobromocyclohexanone;
Density:	1.509 g/cm³
Boiling Point:	210.544 °C at 760 mmHg
Flash Point:	83.69 °C
Hazard Symbols:	Xi
Risk Codes:	36/37/38-43
Safety:	26-36/37
PSA:	17.07000
LogP:	1.89300

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Specification

The 2-Bromocyclohexanone with the cas number 822-85-5 is also called Cyclohexanone,2-bromo-. The IUPAC name is 2-bromocyclohexan-1-one. Its molecular formula is C₆H₉BrO. The product's category is API intermediates.

The properties of the chemical are: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 1; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 17.07 Å²; (7)Index of Refraction: 1.519; (8)Molar Refractivity: 35.587 cm³; (9)Molar Volume: 117.313 cm³; (10)Polarizability: 14.108×10^-24cm³; (11)Surface Tension: 40.9 dyne/cm; (12)Enthalpy of Vaporization: 44.683 kJ/mol; (13)Vapour Pressure: 0.191 mmHg at 25°C.

Preparation: This chemical can be prepared by acetic acid cyclohex-1-enyl ester. This reaction needs reagent NaBr, Pb(OAc)₄ and solvent methanol at temperature of 0 °C. The reaction time is 10 min. The yield is 82%.

Uses: This chemical can prepare cyclohex-2-enone. This reaction needs reagent sodium acetate and glacial acetic acid.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CCCCC1Br
(2)InChI: InChI=1/C6H9BrO/c7-5-3-1-2-4-6(5)8/h5H,1-4H2
(3)InChIKey: KDXYEWRAWRZXFT-UHFFFAOYAD