1-Bromo-2-methylpropane 1-Bromo-2-methylpropane
Structural formula
| Business number | 01NH |
|---|---|
| Molecular formula | C4H9Br |
| Molecular weight | 137.02 |
| label |
Isobutyl bromide, Bromoisobutane, 1-bromoisobutane, Isobutyl bromide, 1-bromoisobutane, Isobutyl bromide, 1-Bromo isobutane, 2-Methylpropyl Bromide, Bromoisobutane, Aliphatic halogenated derivatives |
Numbering system
CAS number:78-77-3
MDL number:MFCD00000217
EINECS number:201-141-2
RTECS number:TX4140000
BRN number:1730915
PubChem number:24881096
Physical property data
1. Properties: Colorless liquid, fragrant.
2. Density (g/mL, 20/4℃): 1.2645
3. Relative density (25℃, 4℃): 1.2571
4 . Melting point (ºC): -117.4
5. Boiling point (ºC, normal pressure): 90.5
6. Refractive index at room temperature (n25): 1.4325
7. Refractive index (n20ºC): 1.4350
8. Flash point (ºC): 18
9. Specific rotation (º): Not available Determined
10. Autoignition point or ignition temperature (ºC): Not determined
11. Vapor pressure (kPa, 25ºC): Not determined
12. Saturated vapor pressure (kPa, 60ºC): Undetermined
13. Heat of combustion (KJ/mol): Undetermined
14. Critical temperature (ºC): Undetermined
15. Critical pressure (KPa): Undetermined
16. Log value of oil-water (octanol/water) partition coefficient: Undetermined
17. Explosion upper limit ( %, V/V): Undetermined
18. Lower explosion limit (%, V/V): Undetermined
19. Solubility: miscible with ethanol and ether, Slightly soluble in water (0.6g/L).
Toxicological data
1. Acute toxicity
Mouse abdominal cavity LD50: 1660g/kg;
Mammal inhalation LC50: 50500mg/m3
2. Chronic toxicity/ Carcinogenicity: mouse intraperitoneal TDLO: 3000 mg/kg/8W-I
3. It has anesthetic effect at high concentrations.
Ecological data
None yet
Molecular structure data
1. Molar refractive index: 28.27
2. Molar volume (cm3/mol): 108.1
3. Isotonic specific volume (90.2K): 240.8
4. Surface tension (dyne/cm ): 24.6
5. Polarizability (10-24cm3): 11.20
Compute chemical data
1. Reference value for hydrophobic parameter calculation (XlogP): 2.3
2. Number of hydrogen bond donors: 0
3. Number of hydrogen bond acceptors: 0
4. Number of rotatable chemical bonds: 1
5. Number of tautomers: none
6. Topological molecule polar surface area 0
7. Number of heavy atoms: 5
8. Surface charge: 0
9. Complexity: 17.6
10. Number of isotope atoms: 0
11. Determine the number of atomic stereocenters: 0
12. Uncertain number of atomic stereocenters: 0
13. Determine the number of chemical bond stereocenters: 0
14. Number of uncertain chemical bond stereocenters: 0
15. Number of covalent bond units: 1
Properties and stability
Flammable liquids will burn easily and release toxic gases when exposed to open flames or high heat. It has an anesthetic effect at high concentrations.
Storage method
This product should be sealed and stored in a cool, dark place.
Synthesis method
Cool the isobutanol to -10°C, slowly add phosphorus tribromide dropwise, and keep the reaction solution at 0 below ℃. After the dropwise addition is completed, the temperature is naturally raised to room temperature with stirring, left overnight, and purified by distillation under reduced pressure to obtain 1-bromo-2-methylpropane.
Purpose
Solvents, organic synthesis and pharmaceutical intermediates.
