2-BROMO-2-NITROPROPANE

The Propane,2-bromo-2-nitro-, with the CAS registry number 5447-97-2, is also known as EINECS 226-668-5. It belongs to the product categories of Nitro Compounds; Nitrogen Compounds; Organic Building Blocks. Its EINECS registry number is 226-668-5. This chemical's molecular formula is C₃H₆BrNO₂ and molecular weight is 167.99. Its IUPAC name is called 2-bromo-2-nitropropane. This chemical is clear colorless to pale yellow liquid.

Physical properties of Propane,2-bromo-2-nitro-: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.5; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.17; (6)ACD/BCF (pH 7.4): 8.17; (7)ACD/KOC (pH 5.5): 156.51; (8)ACD/KOC (pH 7.4): 156.51; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.482; (13)Molar Refractivity: 29.66 cm³; (14)Molar Volume: 104 cm³; (15)Surface Tension: 37.3 dyne/cm; (16)Density: 1.614 g/cm³; (17)Flash Point: 61.1 °C; (18)Enthalpy of Vaporization: 39.11 kJ/mol; (19)Boiling Point: 154.4 °C at 760 mmHg; (20)Vapour Pressure: 3.19 mmHg at 25°C.

Preparation: this chemical can be prepared by 2-nitro-propane. This reaction will need reagent alkali, bromine.

Uses of Propane,2-bromo-2-nitro-: it can be used to produce 2,3-dimethyl-2,3-dinitro-butane. This reaction will need reagent silver.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It is harmful by inhalation, in contact with skin and if swallowed. In addition, 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 and gloves.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)([N+](=O)[O-])Br
(2)InChI: InChI=1S/C3H6BrNO2/c1-3(2,4)5(6)7/h1-2H3
(3)InChIKey: OADSZWXMXIWZSQ-UHFFFAOYSA-N