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Propane,2-bromo-2-nitro-

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Name

Propane,2-bromo-2-nitro-

EINECS 226-668-5
CAS No. 5447-97-2 Density 1.614 g/cm3
PSA 45.82000 LogP 1.91730
Solubility N/A Melting Point 33-35 °C
Formula C3H6BrNO2 Boiling Point 154.4 °C at 760 mmHg
Molecular Weight 167.99 Flash Point 61.1 °C
Transport Information N/A Appearance clear colorless to pale yellow liquid
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 5447-97-2 (2-BROMO-2-NITROPROPANE) Hazard Symbols HarmfulXn
Synonyms

2-Bromo-2-nitropropane;NSC 17672;

Article Data 14

Propane,2-bromo-2-nitro- Specification

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

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